ChemSpider 2D Image | (1S)-1-(4-Aminophenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol | C11H14NO7P

(1S)-1-(4-Aminophenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol

  • Molecular FormulaC11H14NO7P
  • Average mass303.206 Da
  • Monoisotopic mass303.051880 Da
  • ChemSpider ID28639119

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S)-1-(4-Aminophenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol [German] [ACD/IUPAC Name]
(1S)-1-(4-Aminophenyl)-1,4-anhydro-5-O-phosphonato-D-ribitol [ACD/IUPAC Name]
(1S)-1-(4-Aminophényl)-1,4-anhydro-5-O-phosphonato-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-C-(4-aminophenyl)-1,4-anhydro-, 5-(dihydrogen phosphate), ion(2-), (1S)- [ACD/Index Name]
4-(5-O-phosphonato-β-D-ribofuranosyl)aminobenzene(2-)
4-(5-O-phosphonato-β-D-ribofuranosyl)aniline(2-)
4-(β-D-ribofuranosyl)aminobenzene 5'-phosphate
4-(β-D-ribofuranosyl)aminobenzene 5'-phosphate(2-)
4-(β-D-ribofuranosyl)aniline 5'-phosphate(2-)
4-aminophenyl β-D-ribofuranoside 5-phosphate(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate. ChEBI CHEBI:72778

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

Density:
Boiling Point: 638.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 340.1±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -4.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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