ChemSpider 2D Image | (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[hydrogen (phosphate)] | C6H12O24P6

(1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[hydrogen (phosphate)]

  • Molecular FormulaC6H12O24P6
  • Average mass653.991 Da
  • Monoisotopic mass653.817688 Da
  • ChemSpider ID21169293

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis[hydrogen (phosphate)] [ACD/IUPAC Name]
(1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanhexaylhexakis[hydrogen(phosphat)] [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, hexakis(dihydrogen phosphate), ion(6-), (1α,2α,3α,4β,5α,6β)- [ACD/Index Name]
Hexakis[hydrogéno(phosphate)] de (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-cyclohexanehexayle [French] [ACD/IUPAC Name]
[(1S,2S,3S,4R,5S,6S)-2,3,4,5,6-pentaphosphonooxycyclohexyl] dihydrogen phosphate

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

nchembio.2007.52-comp6 [DBID]

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

Density:
Boiling Point: 1190.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.9±6.0 kJ/mol
Flash Point: 673.9±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -8.47
ACD/LogD (pH 5.5): -18.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -23.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 476 Å2
Polarizability:
Surface Tension:
Molar Volume:

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