ChemSpider 2D Image | (3R,4S,5R)-5-[(1-Carboxylatovinyl)oxy]-4-hydroxy-3-(phosphonatooxy)-1-cyclohexene-1-carboxylate | C10H9O10P

(3R,4S,5R)-5-[(1-Carboxylatovinyl)oxy]-4-hydroxy-3-(phosphonatooxy)-1-cyclohexene-1-carboxylate

  • Molecular FormulaC10H9O10P
  • Average mass320.148 Da
  • Monoisotopic mass319.995514 Da
  • ChemSpider ID26330879
  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3R,4S,5R)-5-[(1-Carboxylatovinyl)oxy]-4-hydroxy-3-(phosphonatooxy)-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
(3R,4S,5R)-5-[(1-Carboxylatovinyl)oxy]-4-hydroxy-3-(phosphonatooxy)-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
(3R,4S,5R)-5-[(1-Carboxylatovinyl)oxy]-4-hydroxy-3-(phosphonatooxy)-1-cyclohexène-1-carboxylate [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 5-[(1-carboxyethenyl)oxy]-4-hydroxy-3-(phosphonooxy)-, ion(4-), (3R,4S,5R)- [ACD/Index Name]
(3R,4S,5R)-5-[(1-carboxylatoethenyl)oxy]-4-hydroxy-3-(phosphonatooxy)cyclohex-1-ene-1-carboxylate
5-enolpyruvyl shikimate-3-phosphate
5-O-(1-carboxylatovinyl)-3-phosphonatoshikimate
5-O-(1-carboxyvinyl)-3-phosphoshikimate
EPSP(4-)
  • Miscellaneous
    • Chemical Class:

      The conjugate base of 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid. It is an intermediate in the shikimate pathway. ChEBI CHEBI:57701

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 724.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.8±6.0 kJ/mol
Flash Point: 391.6±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -7.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.24
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






Advertisement