ChemSpider 2D Image | N-(6-Carbamimidamido-1-chloro-2-oxo-3-hexanyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C17H29ClN6O3S

N-(6-Carbamimidamido-1-chloro-2-oxo-3-hexanyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

  • Molecular FormulaC17H29ClN6O3S
  • Average mass432.969 Da
  • Monoisotopic mass432.171051 Da
  • ChemSpider ID68024222

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[4-[(aminoiminomethyl)amino]-1-(2-chloroacetyl)butyl]hexahydro-2-oxo-, (3aS,4S,6aR)- [ACD/Index Name]
N-(6-Carbamimidamido-1-chlor-2-oxo-3-hexanyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
N-(6-Carbamimidamido-1-chloro-2-oxo-3-hexanyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-(6-Carbamimidamido-1-chloro-2-oxo-3-hexanyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanamide [French] [ACD/IUPAC Name]
Biotinylarginylchloromethane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 106.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 277.2±7.0 cm3

Click to predict properties on the Chemicalize site


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