ChemSpider 2D Image | N-(6-Imino-1,6-dihydro-2-pyridinyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C15H21N5O2S

N-(6-Imino-1,6-dihydro-2-pyridinyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

  • Molecular FormulaC15H21N5O2S
  • Average mass335.424 Da
  • Monoisotopic mass335.141602 Da
  • ChemSpider ID68024435

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanamide, N-(1,6-dihydro-6-imino-2-pyridinyl)hexahydro-2-oxo-, (3aR,4R,6aS)- [ACD/Index Name]
N-(6-Imino-1,6-dihydro-2-pyridinyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
N-(6-Imino-1,6-dihydro-2-pyridinyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-(6-Imino-1,6-dihydro-2-pyridinyl)-5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanamide [French] [ACD/IUPAC Name]
2-Amino-(6-amidobiotinyl)pyridine

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: 1.759
Molar Refractivity: 87.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.77
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.92
Polar Surface Area: 131 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 69.7±7.0 dyne/cm
Molar Volume: 213.2±7.0 cm3

Click to predict properties on the Chemicalize site


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