ChemSpider 2D Image | (3R,4S,5R)-5-[(1S)-1-Carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylate | C10H15O13P2

(3R,4S,5R)-5-[(1S)-1-Carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylate

  • Molecular FormulaC10H15O13P2
  • Average mass405.166 Da
  • Monoisotopic mass404.999329 Da
  • ChemSpider ID34892896

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4S,5R)-5-[(1S)-1-Carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
(3R,4S,5R)-5-[(1S)-1-Carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
(3R,4S,5R)-5-[(1S)-1-Carboxy-1-phosphonoéthoxy]-4-hydroxy-3-(phosphonooxy)-1-cyclohexène-1-carboxylate [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 5-[(1S)-1-carboxy-1-phosphonoethoxy]-4-hydroxy-3-(phosphonooxy)-, ion(1-), (3R,4S,5R)- [ACD/Index Name]

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

Density:
Boiling Point: 871.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.8±6.0 kJ/mol
Flash Point: 480.6±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.54
ACD/LogD (pH 5.5): -10.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 251 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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