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Search term: INAPMGSXUVUWAF-CNWJWELYSA-L (Found by InChIKey (full match))
ChemSpider 2D Image | (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl phosphate | C6H11O9P

(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl phosphate

  • Molecular FormulaC6H11O9P
  • Average mass258.121 Da
  • Monoisotopic mass258.015167 Da
  • ChemSpider ID26331191

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl phosphate [ACD/IUPAC Name]
(1S,2R,3S,4S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexylphosphat [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, 1-(dihydrogen phosphate), ion(2-), (1β,2α,3α,4α,5β,6α)- [ACD/Index Name]
Phosphate de (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
1D-myo-Inositol 4-phosphate
1D-myo-inositol 4-phosphate dianion
1D-myo-inositol 4-phosphate(2-)

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

Density:
Boiling Point: 517.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.9±6.0 kJ/mol
Flash Point: 266.7±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -6.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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