ChemSpider 2D Image | (3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-{isobutyl[(4-Methoxyphenyl)sulfonyl]amino}propyl]carbamate | C28H38N2O8S

(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-{isobutyl[(4-Methoxyphenyl)sulfonyl]amino}propyl]carbamate

  • Molecular FormulaC28H38N2O8S
  • Average mass562.675 Da
  • Monoisotopic mass562.234863 Da
  • ChemSpider ID173200

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-{isobutyl[(4-Methoxyphenyl)sulfonyl]amino}propyl]carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]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,6aR)-hexahydrofuro[2,3-b]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,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL N-[(2S,3R)-3-HYDROXY-4-[N-(2-METHYLPROPYL)4-METHOXYBENZENESULFONAMIDO]-1-PHENYLBUTAN-2-YL]CARBAMATE
206362-00-7 [RN]
Carbamic acid, ((1S,2R)-2-hydroxy-3-(((4-methoxyphenyl)sulfonyl)(2-methylpropyl)amino)-1-(phenylmethyl)propyl)-, (3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-yl ester
Carbamic acid, [(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
DJR
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS073036 [DBID]
AIDS-073036 [DBID]
C15659 [DBID]
TMC 126 [DBID]
TMC-126 [DBID]
UIC 94003 [DBID]
UIC-94003 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 843.99
ACD/KOC (pH 5.5): 4327.87
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 843.88
ACD/KOC (pH 7.4): 4327.29
Polar Surface Area: 132 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 427.0±5.0 cm3

Click to predict properties on the Chemicalize site


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