ChemSpider 2D Image | (5S)-6-[(2S)-2-(1H-Benzimidazol-2-ylcarbonyl)-1-pyrrolidinyl]-5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-6-oxohexyl 3-butenoate | C37H38N4O6

(5S)-6-[(2S)-2-(1H-Benzimidazol-2-ylcarbonyl)-1-pyrrolidinyl]-5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-6-oxohexyl 3-butenoate

  • Molecular FormulaC37H38N4O6
  • Average mass634.721 Da
  • Monoisotopic mass634.279114 Da
  • ChemSpider ID26366329

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-6-[(2S)-2-(1H-Benzimidazol-2-ylcarbonyl)-1-pyrrolidinyl]-5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-6-oxohexyl 3-butenoate [ACD/IUPAC Name]
(5S)-6-[(2S)-2-(1H-Benzimidazol-2-ylcarbonyl)-1-pyrrolidinyl]-5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-6-oxohexyl-3-butenoat [German] [ACD/IUPAC Name]
3-Buténoate de (5S)-6-[(2S)-2-(1H-benzimidazol-2-ylcarbonyl)-1-pyrrolidinyl]-5-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-6-oxohexyle [French] [ACD/IUPAC Name]
3-Butenoic acid, (5S)-6-[(2S)-2-(1H-benzimidazol-2-ylcarbonyl)-1-pyrrolidinyl]-5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-6-oxohexyl ester [ACD/Index Name]

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: 1.631
Molar Refractivity: 176.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6241.77
ACD/KOC (pH 5.5): 18087.14
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6277.17
ACD/KOC (pH 7.4): 18189.75
Polar Surface Area: 131 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 494.4±3.0 cm3

Click to predict properties on the Chemicalize site


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