C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)
Cas Subcriptio Number
163878-63-5
H302
Key physica proprietatibus | Valor | Conditio |
Pondus | 818,89 | - |
Pka (praedicta) | 9.55 ± 0.10 | Most Acidic Temp: XXV ° C |
Canonica ridet
N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)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)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC = C (c) c4) C5 cc = c5 = c5
INCHI
Inchi = 1s / C43H55N4O10P / C1-29 (II) XLVII (XXX (III) IV) LVIII (55-24-12-23-44) 57-38-37 (56-41 (XXXIX (XXXVIII) XL (XLIX) 46-27-31 (XLVI) XLIX) II (XLVI) XLIV) 8-54-43 (32-13-10-9-11-14-32,33-15-19-35 (51-7) 20-16-33) 34-17-21-36 (52-8) 22-18-34 / H9-11,13-22.27,280,37-39,41H, 12,24-26,28H2, 1-8H3, (h, 45,48,49) / T37-, 38-, 39-, 41-, LVIII? / M1 / S1
Key Inchi
YFRRRKZDUDXHJNC, KzqaakllLSA, N
XVII alia nomina huius substantiae
Uridine, V '-O- [bis (IV-metoxyphen) Phenylmethyl] -2 '-O- (II-methoxyethyl) - V, methyl-, III '- [II-cyanoethyl bis (I-methylethyl) phosphor
Amidite] (9CI); X: PN: US20030212017 Page: XVIII petita RNA; XI: PN: US20030211606 Page: XVIII petita RNA; XIII: PN: us20040
(L) DLXIX Page: XXI petita RNA; XIII: PN: US20040006030 Page: XXII petita RNA; XIII: PN: US20040014048 Page: XIX petita RNA; XIII: PN: US20040014049 Page: XIX petita RNA; XIV: PN: US20030198965 Page: XIX petita RNA; XIV: PN: US20040005565 Page: 17- XXII petita RNA; XIV: pm: us20040005570 Page: XIX petita RNA; XIV: pm: us20040014047 Page: XIX petita RNA; XIV: PN: us20040
(MCD) DCXCIX Page: XIX petita RNA; XV: PN: US20040014050 Page: XIX petita RNA; XV: PN: US20040014051 Page: XXI petita RNA; XV:
PN: Wo03106645 Page: LXIX petita RNA; XVI: PN: US20040006029 Page: XXII petita RNA; LXXXVII: PN: US20040005707 Page: XIX petita RNA
Spectra praesto
I h NMR
XIII c NMR
Nmr hetero
Proprietatibus praesto
Biological
Proiectus
Lipinski
Structuram related
Res | Valor | Conditio | Fons |
Bioconcentration factor | CCCXLVIII | PH I; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | MMDCCCX | PH II; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (XXI) C | PH III; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (LXIII) C | PH IV; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (LXXVIII) DCCC | PH V; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (LXXX) DCCC | Ph VI; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (LXXX) DCCC | PH VII; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (LXXVIII) DCCC | PH VIII; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (LXIII) CD | PH IX; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (XXI) 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 | CDLXXXVII | PH I; Temp: XXV ° C | (I) ACD |
Koc | MMMCMXL | PH II; Temp: XXV ° C | (I) ACD |
Koc | (XXCC) DC | PH III; Temp: XXV ° C | (I) ACD |
Koc | (LXXXVIII) CD | PH IV; Temp: XXV ° C | (I) ACD |
Res | Valor | Conditio | Fons |
Koc | 1.10 X CV | PH V; Temp: XXV ° C | (I) ACD |
Koc | 1.13 x CV | Ph VI; Temp: XXV ° C | (I) ACD |
Koc | 1.13 x CV | PH VII; Temp: XXV ° C | (I) ACD |
Koc | 1.10 X CV | PH VIII; Temp: XXV ° C | (I) ACD |
Koc | (LXXXVIII) DCCC | PH IX; Temp: XXV ° C | (I) ACD |
Koc | (XXX) DC | PH X; Temp: XXV ° C | (I) ACD |
logd | 4.39 | PH I; Temp: XXV ° C | (I) ACD |
logd | 5,30 | PH II; Temp: XXV ° C | (I) ACD |
logd | 6,18 | PH III; Temp: XXV ° C | (I) ACD |
logd | 6.65 | PH IV; Temp: XXV ° C | (I) ACD |
logd | 6,75 | PH V; Temp: XXV ° C | (I) ACD |
logd | 6.76 | Ph VI; Temp: XXV ° C | (I) ACD |
logd | 6.76 | PH VII; Temp: XXV ° C | (I) ACD |
logd | 6,75 | PH VIII; Temp: XXV ° C | (I) ACD |
logd | 6.65 | PH IX; Temp: XXV ° C | (I) ACD |
logd | 6.19 | PH X; Temp: XXV ° C | (I) ACD |
logp | 6,761 ± 0.669 | Temp: XXV ° C | (I) ACD |
Missam intrinsecam solubility | 2.0 X 10-4 g / l | Temp: XXV ° C | (I) ACD |
Missam solubility | 0.046 G / l | PH I; Temp: XXV ° C | (I) ACD |
Missam solubility | 5.7 X 10-3 g / l | PH II; Temp: XXV ° C | (I) ACD |
Missam solubility | 10,6 X 10-4 g / l | PH III; Temp: XXV ° C | (I) ACD |
Missam solubility | 2.5 x 10-4 g / l | PH IV; Temp: XXV ° C | (I) ACD |
Missam solubility | 2.0 X 10-4 g / l | PH V; Temp: XXV ° C | (I) ACD |
Missam solubility | 2.0 X 10-4 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
Missam solubility | 2.0 X 10-4 g / l | PH VII; Temp: XXV ° C | (I) ACD |
Missam solubility | 2.0 X 10-4 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
Missam solubility | 2.5 x 10-4 g / l | PH IX; Temp: XXV ° C | (I) ACD |
Missam solubility | 10,4 X 10-4 g / l | PH X; Temp: XXV ° C | (I) ACD |
Missam solubility | 2.0 X 10-4 g / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
Molaris intrinsecam solubility | 2.4 x 10-7 Mol / l | Temp: XXV ° C | (I) ACD |
Molaris solubility | 5.6 x 10-5 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
Molaris solubility | 10-6 MOL 7.0 / l | PH II; Temp: XXV ° C | (I) ACD |
Res | Valor | Conditio | Fons |
Molaris solubility | 9.3 x 10-7 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
Molaris solubility | 10-7 Mol X 3.1 / l | PH IV; Temp: XXV ° C | (I) ACD |
Molaris solubility | 2.5 x 10-7 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
Molaris solubility | 2.4 x 10-7 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
Molaris solubility | 2.4 x 10-7 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
Molaris solubility | 2.5 x 10-7 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
Molaris solubility | 10-7 Mol X 3.1 / l | PH IX; Temp: XXV ° C | (I) ACD |
Molaris solubility | 9.0 x 10-7 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
Molaris solubility | 2.4 x 10-7 Mol / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
Pondus | 818,89 | ||
PKA | 9.55 ± 0.10 | Most Acidic Temp: XXV ° C | (I) ACD |
PKA | 3.45 ± 0.70 | 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 | 21 | (I) ACD | |
H acceptors | 14 | (I) ACD | |
H donos | 1 | (I) ACD | |
H donator / Acceptor Sum | 15 | (I) ACD | |
logp | 6,761 ± 0.669 | Temp: XXV ° C | (I) ACD |
Pondus | 818,89 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Res | Valor | Source |
Polar superficies regio | CLXIV 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
Code aleam dicitur Source | |
H302 nocivis, si absorbuit | Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Suspendisse, Europae Chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Suspendisse |