ChemSpider 2D Image | GRL-0519 | C30H40N2O9S

GRL-0519

  • Molecular FormulaC30H40N2O9S
  • Average mass604.712 Da
  • Monoisotopic mass604.245422 Da
  • ChemSpider ID25056820

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3r,3as,3br,6as,7as)-Octahydrodifuro[2,3-B:3',2'-D]furan-3-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}propyl]carbamate
(3R,3aS,3bR,6aS,7aS)-Octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,3bR,6aS,7aS)-Octahydrodifuro[2,3-b:3',2'-d]furan-3-yl-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-phényl-2-butanyl]carbamate de (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl ester [ACD/Index Name]
GRL-0519

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

G52 [DBID]
HSDB 113 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 155.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1043.43
ACD/KOC (pH 5.5): 5037.52
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1043.28
ACD/KOC (pH 7.4): 5036.78
Polar Surface Area: 141 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 447.5±5.0 cm3

Click to predict properties on the Chemicalize site


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