ChemSpider 2D Image | [4-(2-{[(2S)-1-{4-[(2,2-Dimethylpropanoyl)oxy]-1,3-benzoxazol-2-yl}-3-methyl-1-oxo-2-butanyl]amino}-2-oxoethoxy)phenoxy]acetic acid | C27H30N2O9

[4-(2-{[(2S)-1-{4-[(2,2-Dimethylpropanoyl)oxy]-1,3-benzoxazol-2-yl}-3-methyl-1-oxo-2-butanyl]amino}-2-oxoethoxy)phenoxy]acetic acid

  • Molecular FormulaC27H30N2O9
  • Average mass526.535 Da
  • Monoisotopic mass526.195129 Da
  • ChemSpider ID23224169

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[4-(2-{[(2S)-1-{4-[(2,2-Dimethylpropanoyl)oxy]-1,3-benzoxazol-2-yl}-3-methyl-1-oxo-2-butanyl]amino}-2-oxoethoxy)phenoxy]acetic acid [ACD/IUPAC Name]
[4-(2-{[(2S)-1-{4-[(2,2-Dimethylpropanoyl)oxy]-1,3-benzoxazol-2-yl}-3-methyl-1-oxo-2-butanyl]amino}-2-oxoethoxy)phenoxy]essigsäure [German] [ACD/IUPAC Name]
[4-(2-{[(2S)-1-{4-[(2,2-dimethylpropanoyl)oxy]-1,3-benzoxazol-2-yl}-3-methyl-1-oxobutan-2-yl]amino}-2-oxoethoxy)phenoxy]acetic acid
Acide [4-(2-{[(2S)-1-{4-[(2,2-diméthylpropanoyl)oxy]-1,3-benzoxazol-2-yl}-3-méthyl-1-oxo-2-butanyl]amino}-2-oxoéthoxy)phénoxy]acétique [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, 2-[(2S)-2-[[2-[4-(carboxymethoxy)phenoxy]acetyl]amino]-3-methyl-1-oxobutyl]-4-benzoxazolyl ester [ACD/Index Name]
2,2-Dimethyl-propionic acid 2-{2-[2-(4-carboxymethoxy-phenoxy)-acetylamino]-3-methyl-butyryl}-benzooxazol-4-yl ester
CHEMBL152211

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: 1.574
Molar Refractivity: 135.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.15
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 411.0±3.0 cm3

Click to predict properties on the Chemicalize site


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