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Search term: SMRBDAAALPUZDJ-UIPNDDLNSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methylphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate | C28H38N2O7S

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

  • Molecular FormulaC28H38N2O7S
  • Average mass546.675 Da
  • Monoisotopic mass546.239990 Da
  • ChemSpider ID415154

  • 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)-3-hydroxy-4-{[(4-methylphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methylphenyl)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-methylphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{isobutyl[(4-méthylphényl)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-methylphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
{(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-(toluene-4-sulfonyl)-amino]-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester
Carbamic acid, [(1S,2R)-2-hydroxy-3-[[(4-methylphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
Sulfonamide isostere

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

AIDS073037 [DBID]
AIDS-073037 [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: 1.603
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 829.37
ACD/KOC (pH 5.5): 4274.07
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 829.26
ACD/KOC (pH 7.4): 4273.50
Polar Surface Area: 123 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 421.1±5.0 cm3

Click to predict properties on the Chemicalize site


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