ChemSpider 2D Image | (3S,4aR,6S,8aR)-6-[(~11~C)-2H-Tetrazol-5-ylmethyl]decahydro-3-isoquinolinecarboxylic acid | C1111CH19N5O2

(3S,4aR,6S,8aR)-6-[(11C)-2H-Tetrazol-5-ylmethyl]decahydro-3-isoquinolinecarboxylic acid

  • Molecular FormulaC1111CH19N5O2
  • Average mass264.312 Da
  • Monoisotopic mass264.165314 Da
  • ChemSpider ID8976858
  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S,4aR,6S,8aR)-6-[(11C)-2H-Tetrazol-5-ylmethyl]decahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
(3S,4aR,6S,8aR)-6-[(11C)-2H-Tetrazol-5-ylmethyl]decahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, decahydro-6-(2H-tetrazol-5-yl-11C-methyl)-, (3S,4aR,6S,8aR)- [ACD/Index Name]
Acide (3S,4aR,6S,8aR)-6-[(11C)-2H-tétrazol-5-ylméthyl]décahydro-3-isoquinoléinecarboxylique [French] [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: 1.573
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 203.0±3.0 cm3

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