ChemSpider 2D Image | (4Z)-4-[(3-Amino-3-carboxypropyl)imino]-2-[2-(2-aminoethoxy)-2-oxoethyl]-2,4-dihydroxybutanoic acid | C12H21N3O8

(4Z)-4-[(3-Amino-3-carboxypropyl)imino]-2-[2-(2-aminoethoxy)-2-oxoethyl]-2,4-dihydroxybutanoic acid

  • Molecular FormulaC12H21N3O8
  • Average mass335.310 Da
  • Monoisotopic mass335.132874 Da
  • ChemSpider ID58837690

More details:

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

(4Z)-4-[(3-Amino-3-carboxypropyl)imino]-2-[2-(2-aminoethoxy)-2-oxoethyl]-2,4-dihydroxybutanoic acid [ACD/IUPAC Name]
(4Z)-4-[(3-Amino-3-carboxypropyl)imino]-2-[2-(2-aminoethoxy)-2-oxoethyl]-2,4-dihydroxybutansäure [German] [ACD/IUPAC Name]
Acide (4Z)-4-[(3-amino-3-carboxypropyl)imino]-2-[2-(2-aminoéthoxy)-2-oxoéthyl]-2,4-dihydroxybutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(2Z)-2-[(3-amino-3-carboxypropyl)imino]-2-hydroxyethyl]-2-hydroxy-, 4-(2-aminoethyl) ester [ACD/Index Name]
2-[(3-Amino-3-carboxy-propylcarbamoyl)-methyl]-2-hydroxy-succinic acid 4-(2-amino-ethyl) ester
diaminobutyryl-citryl-ethanolamine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 711.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 384.3±35.7 °C
Index of Refraction: 1.584
Molar Refractivity: 72.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -3.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 216.9±7.0 cm3

Click to predict properties on the Chemicalize site


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