ChemSpider 2D Image | (2S)-2-Amino-4-{[(3,4-dihydroxy-5-nitrophenyl)(hydroxy)methyl](hydroxy)phosphoryl}butanoic acid | C11H15N2O9P

(2S)-2-Amino-4-{[(3,4-dihydroxy-5-nitrophenyl)(hydroxy)methyl](hydroxy)phosphoryl}butanoic acid

  • Molecular FormulaC11H15N2O9P
  • Average mass350.219 Da
  • Monoisotopic mass350.051514 Da
  • ChemSpider ID76795467

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-Amino-4-{[(3,4-dihydroxy-5-nitrophenyl)(hydroxy)methyl](hydroxy)phosphoryl}butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-{[(3,4-dihydroxy-5-nitrophenyl)(hydroxy)methyl](hydroxy)phosphoryl}butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-{[(3,4-dihydroxy-5-nitrophényl)(hydroxy)méthyl](hydroxy)phosphoryl}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[[(3,4-dihydroxy-5-nitrophenyl)hydroxymethyl]hydroxyphosphinyl]-, (2S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 762.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 414.7±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 75.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -4.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 107.6±3.0 dyne/cm
Molar Volume: 199.1±3.0 cm3

Click to predict properties on the Chemicalize site


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