ChemSpider 2D Image | 6-({5-[(2e,3as,4s,6ar)-2-Iminohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentanoyl}amino)hexanoic Acid | C16H28N4O3S

6-({5-[(2e,3as,4s,6ar)-2-Iminohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentanoyl}amino)hexanoic Acid

  • Molecular FormulaC16H28N4O3S
  • Average mass356.483 Da
  • Monoisotopic mass356.188202 Da
  • ChemSpider ID59051955

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

6-({5-[(2e,3as,4s,6ar)-2-Iminohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]pentanoyl}amino)hexanoic Acid
6-({5-[(2Z,3aS,4S,6aR)-2-Iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid [ACD/IUPAC Name]
6-({5-[(2Z,3aS,4S,6aR)-2-Iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexansäure [German] [ACD/IUPAC Name]
Acide 6-({5-[(2Z,3aS,4S,6aR)-2-iminohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[5-[(2Z,3aS,4S,6aR)-hexahydro-2-imino-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 92.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 250.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement