ChemSpider 2D Image | (E)-[(5R,6R)-3,4,5,6-Tetrahydroxy-5,6-dihydro-2H-pyran-2-ylidene]methyl dihydrogen phosphate | C6H9O9P

(E)-[(5R,6R)-3,4,5,6-Tetrahydroxy-5,6-dihydro-2H-pyran-2-ylidene]methyl dihydrogen phosphate

  • Molecular FormulaC6H9O9P
  • Average mass256.104 Da
  • Monoisotopic mass255.998413 Da
  • ChemSpider ID61714401
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(E)-[(5R,6R)-3,4,5,6-Tetrahydroxy-5,6-dihydro-2H-pyran-2-yliden]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
(E)-[(5R,6R)-3,4,5,6-Tetrahydroxy-5,6-dihydro-2H-pyran-2-ylidene]methyl dihydrogen phosphate [ACD/IUPAC Name]
2H-Pyran-2,3,4,5-tetrol, 3,6-dihydro-6-[(phosphonooxy)methylene]-, (2R,3R,6E)- [ACD/Index Name]
Dihydrogénophosphate de (E)-[(5R,6R)-3,4,5,6-tétrahydroxy-5,6-dihydro-2H-pyran-2-ylidène]méthyle [French] [ACD/IUPAC Name]
BG6
β-D-glucose-6-phosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.5±0.1 g/cm3
Boiling Point: 445.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±6.0 kJ/mol
Flash Point: 223.2±31.5 °C
Index of Refraction: 1.944
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -6.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 284.9±3.0 dyne/cm
Molar Volume: 100.9±3.0 cm3

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