![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine.png)
C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)
Cas Subcriptio Number
163759-94-2
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 922,01 | - |
| Pka (praedicta) | 8.59 ± 0.40 | Most Acidic Temp: XXV ° C |
Canonica ridet
N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C
Isomeric smiles
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@H](O1)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC = C (c) C c4), (C5 = c (ad) C = C5) C6 cc = C6 c6 =
INCHI
Inchi = 1s / c50h60n5o10p / C1-34 (II) LV (XXXV (III) IV) LXVI (63-29-15-28-51) 65-44-43 (33-29-15-28-51 (65-44-438.39-20-24-41 (59-7) 25-21-39 (38-18-13-10-14-14-4-19-38,39-20-24-41 (59-7) 25-21-39 ) 40-22-26-42 (60-8) 27-23-40) 64-48 (XLV (XLIV) 61-31-30-58-6) 54-32-36 (V) XLVI (53-49 (LIV) LVII) 52-47 / LVI) 37-16-11-34- / H9-14,16-27,34 35,43-45,48h, 15,29-31,33H2,1-8H3 (H, 52,53,56,57) / T43-, 44-, 45-, 48-, LXVI? / M1 / S1
Key Inchi
Fligvmliidvdsn, gicdfoiusa, n
XXVI Aliae nomina huius substantiae
Cytidine,N-benzoyl, V '-O- [bis (IV-metoxyphen) Phenylmethyl] -2 '-O- (II-methoxyethyl) - V, methyl-, III, - [II-cyanoethyl bis (I-methylethyl) phosphoramidite] (9CI); XII: PN: Wo03084478 Page: LVII petita DNA; XIV: PN: US20030170636 Page: XVII petita DNA; XV: P
S20030211606 Page: XIX petita DNA; XV: PN: US20030212017 Page: XIX petita DNA; XVI, PN: US20040005569 Page: XXII petita DNA; XVII: PN: US20040006030 Page: XXIII petita DNA; XVII: PN: US20040014049 Page: XX petita DNA; XVIII: Pag: US20040014047 Pag E: XX petita DNA; XVIII: PN: US20040014048 Page: XX petita DNA; XVIII: PN: US20040014050 Page: XX petita DNA; XIX: P
S20030171313 Page: IX petita DNA; XIX: PN: US20030198965 Page: XX petita DNA; XIX: PN: US20040005565 Page: 17- XXII petita DNA; XIX: PN: US20040005570 Page: XX petita DNA; XIX: PN: US20040014051 Page: XXII petita DNA; XX: PN: US20040014699 Pag
E: XX petita DNA; XXI: PN: US20040006029 Page: XXIII petita DNA; XXI: PN: Wo03106645 Page: LXXII petita DNA; LXI: PN: US20030
(CLXVI) DXCII Page: XV petita DNA; VII: PN: Wo2005006958 Page: LXII petita DNA; LXXXIV: PN: US20040171566 Page: XVIII petita DNA; XCII:
PN: US20040005707 Page: XX petita DNA; IX: PN: Wo2005007825 Page: LXII petita DNA;NIV, Benzoyl, II '-O-methoxyethyl, 5-O- Dimethoxyytrityl-V-methylcytidine-III, -Phosphoramidite;NIV, Benzoyl, II '-O-methoxyethyl, V '-O-dimethoxyytrityl, V, methylcytidine-III, - Amidhæum
Spectra praesto
XIII c NMR
Nmr hetero
Proprietatibus praesto
Biological
Proiectus
Lipinski
Structuram related
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | CLXXI | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCL | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | (XLVII) DC | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 6.44 x CV | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.00 X CVI | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 7.79 x CV | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.63 x CV | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | (XXX) DCCC | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Conditio | Fons |
| Koc | CVI | PH I; Temp: XXV ° C | (I) ACD |
| Koc | DCCLXXIII | PH II; Temp: XXV ° C | (I) ACD |
| Koc | (XXCC) D | PH III; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Koc | X CV 3.99 | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | 8.02 x CV | PH V; Temp: XXV ° C | (I) ACD |
| Koc | 8.70 X CV | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | 8,16 X CV | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | 4.83 x CV | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | 1.01 X CV | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | (XIX) C | PH X; Temp: XXV ° C | (I) ACD |
| logd | 4.48 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 5,34 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 6.92 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 8,06 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 8,36 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 8,39 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 8,37 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 8,14 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 7.46 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 6,73 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 8,401 ± 0.723 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 10-4 10-4 G / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 1.1 g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.16 G / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-3 10-3 g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 G / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X 1.5 g / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 10-4 G / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X 1.5 g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 2.5 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 | 6.3 x 10-3 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X 1.5 g / l | Unbuffered aqua 6 6,97; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 1.5 x 10-7 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-3 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | 1.7 X 10-4 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 4.4 x 10-6 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,2 x 10-7 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.6 x 10-7 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.5 x 10-7 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.6 x 10-7 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 10-7 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 10-6 Mol X 10-3 / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6,8 x 10-6 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.6 x 10-7 Mol / l | Unbuffered aqua 6 6,97; Temp: XXV ° C | (I) ACD |
| Pondus | 922,01 | ||
| PKA | 8.59 ± 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)
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 22 | (I) ACD | |
| H acceptors | 15 | (I) ACD | |
| H donos | 1 | (I) ACD | |
| H donator / Acceptor Sum | 16 | (I) ACD | |
| logp | 8,401 ± 0.723 | Temp: XXV ° C | (I) ACD |
| Pondus | 922,01 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
| Res | Valor | Source |
| Polar superficies regio | CLXXVI A2 | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
I h NMR
XIII c NMR
![C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![C42H52N5O9P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)
![C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C45H56N7O9P-300x300.png)
