ChemSpider 2D Image | [(3R,4R,5S)-3,4,5-Trihydroxy-1-cyclohexen-1-yl]phosphonic acid | C6H11O6P

[(3R,4R,5S)-3,4,5-Trihydroxy-1-cyclohexen-1-yl]phosphonic acid

  • Molecular FormulaC6H11O6P
  • Average mass210.122 Da
  • Monoisotopic mass210.029327 Da
  • ChemSpider ID24207430

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3R,4R,5S)-3,4,5-Trihydroxy-1-cyclohexen-1-yl]phosphonic acid [ACD/IUPAC Name]
[(3R,4R,5S)-3,4,5-Trihydroxy-1-cyclohexen-1-yl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(3R,4R,5S)-3,4,5-trihydroxy-1-cyclohexén-1-yl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(3R,4R,5S)-3,4,5-trihydroxy-1-cyclohexen-1-yl]- [ACD/Index Name]
((3R,4R,5S)-3,4,5-trihydroxycyclohex-1-en-1-yl)phosphonic acid
391894-84-1 [RN]
Phosphonic acid, [(3R,4R,5S)-3,4,5-trihydroxy-1-cyclohexen-1-yl]- (9CI)

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

Density: 1.8±0.1 g/cm3
Boiling Point: 497.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 254.5±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 41.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.62
ACD/LogD (pH 5.5): -6.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 100.5±5.0 dyne/cm
Molar Volume: 118.4±5.0 cm3

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