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ChemSpider 2D Image | 4,6-Dihydroxy-1,2,3,5-cyclohexantetrayltetrakis[dihydrogen-(phosphat)] | C6H16O18P4

4,6-Dihydroxy-1,2,3,5-cyclohexantetrayltetrakis[dihydrogen-(phosphat)]

  • Molecular FormulaC6H16O18P4
  • Average mass500.076 Da
  • Monoisotopic mass499.928711 Da
  • ChemSpider ID465

More details:

Date of deprecation: 15:05, Apr 10, 2015
Reason for deprecation: Deprecate record: 6 undefined stereocentres

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

1,2,3,4,5,6-Cyclohexanehexol, 1,2,3,5-tetrakis(dihydrogen phosphate) [ACD/Index Name]
4,6-Dihydroxy-1,2,3,5-cyclohexanetetrayl tetrakis[dihydrogen (phosphate)] [ACD/IUPAC Name]
4,6-Dihydroxy-1,2,3,5-cyclohexantetrayltetrakis[dihydrogen(phosphat)] [German] [ACD/IUPAC Name]
4,6-Dihydroxy-1,2,3,5-cyclohexantetrayltetrakis[dihydrogen-(phosphat)]
4,6-dihydroxycyclohexane-1,2,3,5-tetrayl tetrakis[dihydrogen (phosphate)]
Tétrakis[dihydrogène (phosphate)] de 4,6-dihydroxy-1,2,3,5-cyclohexanetétrayle
Tétrakis[dihydrogéno(phosphate)] de 4,6-dihydroxy-1,2,3,5-cyclohexanetétrayle [French] [ACD/IUPAC Name]
1D-myo-inositol 1,3,4,5-tetrakisphosphate
Inositol 1,3,4,5-tetrakisphosphate
Phosphoric acid mono-(2,4-dihydroxy-3,5,6-tris-phosphonooxy-cyclohexyl) ester
More...

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

CPD-506 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1015.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.0±6.0 kJ/mol
Flash Point: 568.0±37.1 °C
Index of Refraction: 1.633
Molar Refractivity: 76.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.40
ACD/LogD (pH 5.5): -12.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -16.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 347 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 159.0±5.0 dyne/cm
Molar Volume: 215.5±5.0 cm3

Click to predict properties on the Chemicalize site


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