Found 3 results

Search term: MF = 'C_{31}H_{43}N_{3}O_{10}S'
ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-[4-(3-aminopropoxy)phenyl]-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-2-butanyl}carbamate | C31H43N3O10S

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-[4-(3-aminopropoxy)phenyl]-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-2-butanyl}carbamate

  • Molecular FormulaC31H43N3O10S
  • Average mass649.752 Da
  • Monoisotopic mass649.266907 Da
  • ChemSpider ID4881897

  • 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 {(2S,3R)-1-[4-(3-aminopropoxy)phenyl]-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxybutan-2-yl}carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-[4-(3-aminopropoxy)phenyl]-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-2-butanyl}carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-1-[4-(3-aminopropoxy)phenyl]-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-1-[4-(3-Aminopropoxy)phényl]-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-2-butanyl}carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-1-[[4-(3-aminopropoxy)phenyl]methyl]-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxypropyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
{(1S,2R)-1-[4-(3-Amino-propoxy)-benzyl]-3-[(benzo[1,3]dioxole-5-sulfonyl)-isobutyl-amino]-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester

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

AIDS314108 [DBID]
AIDS-314108 [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: 1.620
Molar Refractivity: 165.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 9.00
Polar Surface Area: 176 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 470.7±5.0 cm3

Click to predict properties on the Chemicalize site


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