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ChemSpider 2D Image | 1-[(2-Carboxylatophenyl)amino]-1-deoxy-5-O-phosphonato-D-ribulose | C12H13NO9P

1-[(2-Carboxylatophenyl)amino]-1-deoxy-5-O-phosphonato-D-ribulose

  • Molecular FormulaC12H13NO9P
  • Average mass346.208 Da
  • Monoisotopic mass346.034424 Da
  • ChemSpider ID28532749

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(2-Carboxylatophenyl)amino]-1-deoxy-5-O-phosphonato-D-ribulose [ACD/IUPAC Name]
1-[(2-Carboxylatophényl)amino]-1-désoxy-5-O-phosphonato-D-ribulose [French] [ACD/IUPAC Name]
D-erythro-2-Pentulose, 1-[(2-carboxyphenyl)amino]-1-deoxy-, 5-(dihydrogen phosphate), ion(3-) [ACD/Index Name]
1-(o-carboxyphenylamino)-1'-deoxyribulose 5'-phosphate
1-(o-carboxyphenylamino)-1-deoxyribulose-5'-P
1-(2-carboxylatophenylamino)-1-deoxy-D-erythro-pent-2-ulose 5-phosphate
1-(2-carboxylatophenylamino)-1-deoxy-D-ribulose 5-phosphate(3-)
1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate
1-(2-carboxyphenylamino)-1-deoxy-D-ribulose-5-P
1-(2-carboxyphenylamino)-1-deoxy-D-ribulose-5-phosphate
More...
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion resulting from the removal of a total of three protons from the phosphate and carboxy groups of 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate. ChEBI CHEBI:58613

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

Density:
Boiling Point: 767.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 417.7±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -4.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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