ChemSpider 2D Image | Hexahydrofuro[2,3-b]furan-3-yl (4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl)carbamate | C27H37N3O7S

Hexahydrofuro[2,3-b]furan-3-yl (4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl)carbamate

  • Molecular FormulaC27H37N3O7S
  • Average mass547.664 Da
  • Monoisotopic mass547.235229 Da
  • ChemSpider ID19817196

More details:

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

(3-((4-aminobenzenesulfonyl)isobutylamino)-1-benzyl-2-hydroxypropyl)carbamic acid hexahydrofuro(2,3-b)furan-3-yl ester
(4-{[(4-Aminophényl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phényl-2-butanyl)carbamate d'hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
Hexahydrofuro[2,3-b]furan-3-yl (4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl)carbamate [ACD/IUPAC Name]
Hexahydrofuro[2,3-b]furan-3-yl-(4-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-3-hydroxy-1-phenyl-2-butanyl)carbamat [German] [ACD/IUPAC Name]
(3S,3aR,6aS)-Darunavir isomer
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
1133378-37-6 [RN]
1546918-95-9 [RN]
1-epi-darunavir
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D03656 [DBID]
TMC-114 [DBID]
UIC-94017 [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: 1.620
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.98
ACD/KOC (pH 5.5): 1146.69
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.99
ACD/KOC (pH 7.4): 1146.74
Polar Surface Area: 149 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 408.4±5.0 cm3

Click to predict properties on the Chemicalize site


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