ChemSpider 2D Image | [1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL (1R,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLCARBAMATE | C34H41N5O7S

[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL (1R,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLCARBAMATE

  • Molecular FormulaC34H41N5O7S
  • Average mass663.784 Da
  • Monoisotopic mass663.272644 Da
  • ChemSpider ID3572058
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

[(1R,2R)-2-Hydroxy-2,3-dihydro-1H-indén-1-yl]carbamate de {1-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-phényl-2-butanyl]-1H-1,2,3-triazol-4-yl}méthyle [French] [ACD/IUPAC Name]
[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL (1R,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLCARBAMATE
{1-[(2S,3R)-3-Hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl [(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate [ACD/IUPAC Name]
{1-[(2S,3R)-3-Hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]-1H-1,2,3-triazol-4-yl}methyl-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-, [1-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-1H-1,2,3-triazol-4-yl]methyl ester [ACD/Index Name]
AB2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 178.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1822.10
ACD/KOC (pH 5.5): 7507.81
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1820.59
ACD/KOC (pH 7.4): 7501.60
Polar Surface Area: 164 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 494.3±7.0 cm3

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