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Search term: JQVDQKJUPGGQKO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Benzyl 5-{1-[(diethoxyphosphoryl)acetyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoate | C23H33N2O7PS

Benzyl 5-{1-[(diethoxyphosphoryl)acetyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoate

  • Molecular FormulaC23H33N2O7PS
  • Average mass512.556 Da
  • Monoisotopic mass512.174622 Da
  • ChemSpider ID21107246

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanoic acid, 1-[2-(diethoxyphosphinyl)acetyl]hexahydro-2-oxo-, phenylmethyl ester [ACD/Index Name]
5-{1-[2-(Diéthoxyphosphoryl)acétyl]-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl}pentanoate de benzyle [French] [ACD/IUPAC Name]
Benzyl 5-{1-[(diethoxyphosphoryl)acetyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoate [ACD/IUPAC Name]
Benzyl-5-{1-[(diethoxyphosphoryl)acetyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoat [German] [ACD/IUPAC 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: 1.543
Molar Refractivity: 128.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 78.01
ACD/KOC (pH 5.5): 787.07
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.01
ACD/KOC (pH 7.4): 787.04
Polar Surface Area: 146 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 408.0±3.0 cm3

Click to predict properties on the Chemicalize site


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