ChemSpider 2D Image | (2S,2'R)-2,2'-[(hydroxyphosphoryl)dimethanediyl]dipentanedioic acid | C12H19O10P

(2S,2'R)-2,2'-[(hydroxyphosphoryl)dimethanediyl]dipentanedioic acid

  • Molecular FormulaC12H19O10P
  • Average mass354.247 Da
  • Monoisotopic mass354.071594 Da
  • ChemSpider ID23235210

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'R)-2,2'-[(Hydroxyphosphoryl)bis(methylene)]dipentanedioic acid [ACD/IUPAC Name]
(2S,2'R)-2,2'-[(hydroxyphosphoryl)dimethanediyl]dipentanedioic acid
(2S,2'R)-2,2'-[(Hydroxyphosphoryl)dimethylen]dipentandisäure [German] [ACD/IUPAC Name]
Acide (2S,2'R)-2,2'-[(hydroxyphosphoryl)diméthylène]dipentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-[[[(2R)-2,4-dicarboxybutyl]hydroxyphosphinyl]methyl]-, (2S)- [ACD/Index Name]
(R,R / S,S) 4-Carboxy-5-[(2,4-dicarboxy-butyl)-hydroxy-phosphinoyl]-pentanoic acid
CHEMBL351166
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL351166/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 119.9±6.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.548
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -8.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 80.0±3.0 dyne/cm
Molar Volume: 227.5±3.0 cm3

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