![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3o9 Cytidine, N-Benzoyl-5'-O- [bis (IV-methoxyphen) Phenylmethyl] -2' -2' -2 (II-methoxyethyl), -5-methyl- (9CI, ACI) H335, H319, H315 Featured](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 721,80 | - |
| Melting Point (experimentalem) | 107-110 ° C | - |
| Density (praedicta) | 1.26 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 8,60 ± 0.40 | Most Acidic Temp: XXV ° C |
Canonical SMILES O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OCCOC)C
Isomeric smiles
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
INCHI
Inchi = 1s / C41H43N3o9 / C1-27-25-44 (XL (XLVII) 43-37 (XXVII) 42-38 (XLVI) 28-11-7-5-8-12-28) 39-36 (51-24-23-48-2) XXXV (XLVI (29-13 (53-39) 25-52-41 (29-13
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Key Inchi
Bycluaikfefah, lzurgkrnsa, n
XXIII alia nomina huius substantiae
N-Benzoyl-5'-o- [bis (IV-metoxyphen) Phenylmethyl] -2' -2' -2 (II-methoxyethyl) -5-methylcytidine (aci); X: PN: Wo03084478 Page: LVII petita RNA; XII: PN: US20030170636 Page: XVII petita r na; XIII: PN: US20030212017 Page: XIX petita r na; XIV: PN: us20030
(CCXI) DCVI Page: XIX petita r na; XV: PN: US20040005569 Page: XXII petita r na; XVI: PN: US20040006030 Page: XXII petita r na; XVI: PN: US20040014048 Page: XX petita r na; XVII: PN: US20030171313 Page: IX petita r na; XVII: PN: US20040005565 Page: 17- XXII petita RNA; XVII: PN: US20040005570 Page: XX petita r na; XVII: PN: US20040014047 Page: XX petita r na; XVII: PN: US20040 (XIV) L Page: XX petita r na; XVIII: PN: US20030198965 Page: XIX petita r na; XVIII: PN: US20040014699 Page: XX petita r na; XIX: PN: US20040006029 Page: XXIII petita r na; XIX: PN: Wo03106645 Page: LXXI petita r na; LIX: PN: US20030166592 Page: XV petita RNA; VI, PN: Wo2005006958 Page: LXII petita r na; LXXXIII: PN: US20040171566 Page: XVIII petita r na; VIII: PN: Wo2005007825
Page: LXII petita r na; XC: PN: US20040005707 Page: XX petita r na; N4, Benzoyl, 2'-o-methoxyethyl, 5'-o-DimethoxyTrityl, 5-
methylcytidine
| Proprietatibus praesto |
| Scelerum |
Scelerum
| Res | Valor | Conditio | Fons |
| Point liquescens | 107-110 ° C | (I) CAS | |
(I) Penjarla, Srishylam; Nucleosides, nucleeol acida nucleotides & (MMXVIII), XXXVII (IV), 232-247, Caplus
Spectra praesto
1h NMR
13c NMR
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | CCXCI | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCXLIV | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMMDCXC | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | (XV) DC | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | (XXIII) DCC | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | (XXIV) DCCC | Ph VI; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | (XXIII) CCC | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | (XIV) C | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MMMX | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DLVIII | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Proiectus
| Res | Valor | Conditio | Fons |
| Koc | DLXIX | PH I; Temp: XXV ° C | (I) ACD |
| Koc | MCCLX | PH II; Temp: XXV ° C | (I) ACD |
| Koc | (VII) CCX | PH III; Temp: XXV ° C | (I) ACD |
| Koc | (XXX) CD | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | (XLVI) CCC | PH V; Temp: XXV ° C | (I) ACD |
| Koc | (XLVIII) D | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | (XLV) D | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | (XXVII) D | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | (V) DCCCXC | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | MXC | PH X; Temp: XXV ° C | (I) ACD |
| logd | 4.16 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 4.50 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 5,26 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 5,88 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 6.07 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 6.09 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 6.06 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 5.84 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 5.17 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 4.44 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 6,093 ± 0.720 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 10-4 X 10-4 G / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.011 G / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.0 X 10-3 g / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 8.7 X 10-4 g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 2.1 x 10-4 g / l | PH IV; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Missam solubility | 10-4 10-4 G / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X 10-4 G / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 10-4 G / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 2.3 x 10-4 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-3 G / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-3 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 10-4 G / l | Unbuffered aqua 6 6,97; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | X 10-7 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.5 x 10-5 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.9 x 10-6 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.2 x 10-6 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 2.9 x 10-7 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-7 Mol X 10-9 / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-7 Mol X 10-9 / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,2 x 10-7 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.5 x 10-6 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 8.0 X 10-6 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-7 Mol X 10-9 / l | Unbuffered aqua 6 6,97; Temp: XXV ° C | (I) ACD |
| Pondus | 721,80 | ||
| PKA | 8,60 ± 0.40 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | 3.87 ± 0.20 | Maxime basic temp: XXV ° | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densitas
| Res | Valor | Conditio | Fons |
| Densitas | 1.26 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 572,5 ± 7.0 CM3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 15 | (I) ACD | |
| Res | Valor | Conditio | Fons |
| H acceptors | 12 | (I) ACD | |
| H donos | 2 | (I) ACD | |
| H donator / Acceptor Sum | 14 | (I) ACD | |
| logp | 6,093 ± 0.720 | Temp: XXV ° C | (I) ACD |
| Pondus | 721,80 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | CXXXVII A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
13c NMR
| Codex | Aleam dicitur | Fons |
| H335 | Sit causa respiratorii irritatio | Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Vicimediorum Communium, European Chemical Agency (ECA) Classification & Labeling - Notified Classification and Labeling - Notifications Ordo - Most Suspendisse notifications - Most Suspendisse - Notifications |
| H319 | Causa gravis oculus irritatio | Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Vicimediorum Communium, European Chemical Agency (ECA) Classification & Labeling - Notified Classification and Labeling - Notifications Ordo - Most Suspendisse notifications - Most Suspendisse - Notifications |
| H315 | Causas cutis irritatio | Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Vicimediorum Communium, European Chemical Agency (ECA) Classification & Labeling - Notified Classification and Labeling - Notifications Ordo - Most Suspendisse notifications - Most Suspendisse - Notifications |
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