C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl)phosphoramidite] (ACI)
Cas Subcriptio Number
251647-55-9
H302
Key physica proprietatibus | Valor | Conditio |
Pondus | 914.00 | - |
Pka (praedicta) | 9.16 ± 0.20 | Most Acidic Temp: XXV ° C |
Canonica ridet
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6) 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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C (O) C = C4), (C5 = c (C) C = C5) C6 cc = CC = C6
INCHI
Inchi = 1s / C47H60N7O10P / C1-30 (II) XLIII (LV) 51-46-50-42-39 (XLIV (LVI) 52-46) 49-29-53 (XLII) 45-41 (62-25-13-24-7) LIV (60-25-13-24-7) LIV (62-25-13-24-7) LIV ( 31(3)4)32(5)6)38(63-45)28-61-47(33-14-11-10-12-15-33,34-16-20-36(58-8)21-17-34)35-18-22-37(59-9)23-19-35/h10-12,14-23,29-32,38 , 40-41,45H, 13,25-28H2,1-9H3 (H2,50,51,52,55,56) / T38-, 41-, 41-, 45-, LXV? / M1 / S1
Key Inchi
Ladcdgnebiqaau, sbcraqivsa, n
XVII alia nomina huius substantiae
Guanosine, V '-O- [bis (IV-metoxyphen) Phenylmethyl] -2 '-O- (II-methoxyethyl) -N- (II-methyl-I-oxopropyl) -, III, - [II-cyanoethyl bis (1. methyshylethyl) phosphoramidite] (9CI); XVII: PN: US20030212017 Page: XX petita sequence; XVIII: PN: US20030211606 Page: XX
petita sequence; XIX: PN: US20040005569 Page: XXII petita sequence; XXI: PN: US20040006030 Page: XXIII petita sequence; XXI: PN: US20040014047 Page: XXI petita sequence; XXI: PN: US20040014049 Page: XXI petita sequence; XXII: PN: US20030198965 Pag
E: XX petita sequence; XXII: PN: US20040005570 Page: XXI petita sequence; XXII: PN: US20040014048 Page: XXI petita sequence;
XXII: PN: US20040014050 Page: XXI petita sequence; XXIII: PN: US20040005565 Page: 17- XXII petita sequence; XXIII: PN: us20040
(MCD) LI Page: XXIII petita sequence; XXIV: PN: US20040014699 Page: XXI petita sequence; XXV: PN: US20040006029 Page: XXIII petita sequence; XXV: PN: Wo03106645 Page: LXXIII petita sequence; XCVI: PN: US20040005707 Page: XXI petita sequence
Spectra praesto
XIII c NMR
Nmr hetero
Proprietatibus praesto
Biological
Proiectus
Lipinski
Structuram related
Res | Valor | Conditio | Fons |
Bioconcentration factor | CXXI | PH I; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | MMDLXXX | PH II; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (XXIII) D | PH III; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (LXXI) DCCC | PH IV; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (LXXXIX) DCCC | PH V; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (XCII) C | Ph VI; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (IX) CCCXX | PH VII; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (LXXX )ber00 | PH VIII; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (XLII) CC | PH IX; Temp: XXV ° C | (I) ACD |
Bioconcentration factor | (VII) DCCCLX | 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 | CLXIV | PH I; Temp: XXV ° C | (I) ACD |
Koc | MMMCDLXXX | PH II; Temp: XXV ° C | (I) ACD |
Koc | (XXXI) DCC | PH III; Temp: XXV ° C | (I) ACD |
Koc | (XCVI) CM | PH IV; Temp: XXV ° C | (I) ACD |
Koc | 1.21 x CV | PH V; Temp: XXV ° C | (I) ACD |
Res | Valor | Conditio | Fons |
Koc | 1.24 x CV | Ph VI; Temp: XXV ° C | (I) ACD |
Koc | 1.23 x CV | PH VII; Temp: XXV ° C | (I) ACD |
Koc | X 1.11 CV | PH VIII; Temp: XXV ° C | (I) ACD |
Koc | (LVI) CM | PH IX; Temp: XXV ° C | (I) ACD |
Koc | (X) DC | PH X; Temp: XXV ° C | (I) ACD |
logd | 3.95 | PH I; Temp: XXV ° C | (I) ACD |
logd | 5,28 | PH II; Temp: XXV ° C | (I) ACD |
logd | 6,24 | PH III; Temp: XXV ° C | (I) ACD |
logd | 6,73 | PH IV; Temp: XXV ° C | (I) ACD |
logd | 6.82 | PH V; Temp: XXV ° C | (I) ACD |
logd | 6,83 | Ph VI; Temp: XXV ° C | (I) ACD |
logd | 6,83 | PH VII; Temp: XXV ° C | (I) ACD |
logd | 6,79 | PH VIII; Temp: XXV ° C | (I) ACD |
logd | 6,50 | PH IX; Temp: XXV ° C | (I) ACD |
logd | 5.77 | PH X; Temp: XXV ° C | (I) ACD |
logp | 6,837 ± 0.764 | Temp: XXV ° C | (I) ACD |
Missam intrinsecam solubility | X 10-4 G / l | Temp: XXV ° C | (I) ACD |
Missam solubility | 0,34 G / l | PH I; Temp: XXV ° C | (I) ACD |
Missam solubility | 0.016 g / l | PH II; Temp: XXV ° C | (I) ACD |
Missam solubility | 1.7 X 10-3 g / l | PH III; Temp: XXV ° C | (I) ACD |
Missam solubility | 5.7 x 10-4 g / l | PH IV; Temp: XXV ° C | (I) ACD |
Missam solubility | 4.6 x 10-4 g / l | PH V; Temp: XXV ° C | (I) ACD |
Missam solubility | X 10-4 G / l | Ph VI; Temp: XXV ° C | (I) ACD |
Missam solubility | 10-4 X 10-4 G / l | PH VII; Temp: XXV ° C | (I) ACD |
Missam solubility | 10-4 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 | 5.2 x 10-3 g / l | PH X; Temp: XXV ° C | (I) ACD |
Missam solubility | 10-4 X 10-4 G / l | Unbuffered aqua PH 6.99; Temp: XXV ° C | (I) ACD |
Molaris intrinsecam solubility | 4.8 x 10-7 Mol / l | Temp: XXV ° C | (I) ACD |
Molaris solubility | 10-4 Mol X 3.7 / l | PH I; Temp: XXV ° C | (I) ACD |
Molaris solubility | 1.7 X 10-5 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
Molaris solubility | 1.9 x 10-6 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
Res | Valor | Conditio | Fons |
Molaris solubility | 6,2 x 10-7 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
Molaris solubility | 5.0 x 10-7 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
Molaris solubility | 4.8 x 10-7 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
Molaris solubility | 4.9 x 10-7 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
Molaris solubility | 5.4 x 10-7 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
Molaris solubility | X 10-6 Mol X / l | PH IX; Temp: XXV ° C | (I) ACD |
Molaris solubility | 5.7 x 10-6 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
Molaris solubility | 4.9 x 10-7 Mol / l | Unbuffered aqua PH 6.99; Temp: XXV ° C | (I) ACD |
Pondus | 914.00 | ||
PKA | 9.16 ± 0.20 | 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 | 22 | (I) ACD | |
H acceptors | 17 | (I) ACD | |
H donos | 2 | (I) ACD | |
H donator / Acceptor Sum | 19 | (I) ACD | |
logp | 6,837 ± 0.764 | Temp: XXV ° C | (I) ACD |
Pondus | 914.00 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Res | Valor | Source |
Polar superficies regio | CCIII 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 |