ChemSpider 2D Image | Isobutyl (2S,6S)-4-({2-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]ethoxy}methyl)-2,6-dibenzyl-10-methyl-7-oxo-8-oxa-3,5-diaza-4-phosphaundecan-1-oate 4-oxide | C37H51N8O6P

Isobutyl (2S,6S)-4-({2-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]ethoxy}methyl)-2,6-dibenzyl-10-methyl-7-oxo-8-oxa-3,5-diaza-4-phosphaundecan-1-oate 4-oxide

  • Molecular FormulaC37H51N8O6P
  • Average mass734.825 Da
  • Monoisotopic mass734.366943 Da
  • ChemSpider ID26389902

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,6S) 4-Oxyde de 4-({2-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]éthoxy}méthyl)-2,6-dibenzyl-10-méthyl-7-oxo-8-oxa-3,5-diaza-4-phosphaundécan-1-oate d'isobutyle [French] [ACD/IUPAC Name]
859209-84-0 [RN]
Isobutyl (2S,6S)-4-({2-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]ethoxy}methyl)-2,6-dibenzyl-10-methyl-7-oxo-8-oxa-3,5-diaza-4-phosphaundecan-1-oate 4-oxide [ACD/IUPAC Name]
Isobutyl-(2S,6S)-4-({2-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]ethoxy}methyl)-2,6-dibenzyl-10-methyl-7-oxo-8-oxa-3,5-diaza-4-phosphaundecan-1-oat-4-oxid [German] [ACD/IUPAC Name]
2-methylpropyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-(2-methylpropoxy)-1-oxo-3-phenylpropan-2-yl]amino]phosphoryl]amino]-3-phenylpropanoate
GS-9191
L-Phenylalanine, N,N'-(((2-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis-, bis(2-methylpropyl) ester

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5I2GJW5Z2Q [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 877.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 484.7±37.1 °C
Index of Refraction: 1.640
Molar Refractivity: 197.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 20628.01
ACD/KOC (pH 5.5): 38318.49
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29885.21
ACD/KOC (pH 7.4): 55514.59
Polar Surface Area: 194 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 548.0±7.0 cm3

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