ChemSpider 2D Image | (2R)-2-Phosphono-1,2,4-butanetricarboxylic acid | C7H11O9P

(2R)-2-Phosphono-1,2,4-butanetricarboxylic acid

  • Molecular FormulaC7H11O9P
  • Average mass270.131 Da
  • Monoisotopic mass270.014069 Da
  • ChemSpider ID34996182

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Phosphono-1,2,4-butanetricarboxylic acid [ACD/IUPAC Name]
(2R)-2-Phosphono-1,2,4-butantricarbonsäure [German] [ACD/IUPAC Name]
1,2,4-Butanetricarboxylic acid, 2-phosphono-, (2R)- [ACD/Index Name]
Acide (2R)-2-phosphono-1,2,4-butanetricarboxylique [French] [ACD/IUPAC Name]
253-733-5 [EINECS]
37971-36-1 [RN]
PHOSPHONOBUTANETRICARBOXYLIC ACID
UNII-306P37319L

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

Density: 1.8±0.1 g/cm3
Boiling Point: 545.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 283.5±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 49.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -2.09
ACD/LogD (pH 5.5): -8.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 110.1±3.0 dyne/cm
Molar Volume: 147.2±3.0 cm3

Click to predict properties on the Chemicalize site


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