ChemSpider 2D Image | (3S,4R,5R)-5-Amino-4-[(~13~C_2_,~2~H_3_)ethanoylamino]-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid | C1213C2H21D3N2O4

(3S,4R,5R)-5-Amino-4-[(13C2,2H3)ethanoylamino]-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid

  • Molecular FormulaC1213C2H21D3N2O4
  • Average mass289.355 Da
  • Monoisotopic mass289.199158 Da
  • ChemSpider ID107442483

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S,4R,5R)-5-Amino-4-[(13C2,2H3)ethanoylamino]-3-(3-pentanyloxy)-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3S,4R,5R)-5-Amino-4-[(13C2,2H3)ethanoylamino]-3-(3-pentanyloxy)-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 5-amino-3-(1-ethylpropoxy)-4-[(1-oxoethyl-1,2-13C2-2,2,2-d3)amino]-, (3S,4R,5R)- [ACD/Index Name]
Acide (3S,4R,5R)-5-amino-4-[(13C2,2H3)éthanoylamino]-3-(3-pentanyloxy)-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.525
Molar Refractivity: 75.2±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
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: 29.8±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 245.6±5.0 cm3

Click to predict properties on the Chemicalize site


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