ChemSpider 2D Image | (2S)-2-{[(2-Carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid | C9H15O8P

(2S)-2-{[(2-Carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid

  • Molecular FormulaC9H15O8P
  • Average mass282.184 Da
  • Monoisotopic mass282.050446 Da
  • ChemSpider ID25056779

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[(2-Carboxyethyl)(hydroxy)phosphoryl]methyl}pentandisäure [German] [ACD/IUPAC Name]
(2S)-2-{[(2-Carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid [ACD/IUPAC Name]
(2s)-2-{[(S)-(2-Carboxyethyl)(Hydroxy)phosphoryl]methyl}pentanedioic Acid
Acide (2S)-2-{[(2-carboxyéthyl)(hydroxy)phosphoryl]méthyl}pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-[[(2-carboxyethyl)hydroxyphosphinyl]methyl]-, (2S)- [ACD/Index Name]
BHX

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

Density: 1.5±0.1 g/cm3
Boiling Point: 694.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 374.0±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -1.41
ACD/LogD (pH 5.5): -7.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 76.8±3.0 dyne/cm
Molar Volume: 183.0±3.0 cm3

Click to predict properties on the Chemicalize site


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