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ChemSpider 2D Image | 2-(Hydroxymethyl)phenyl 6-O-phosphonato-beta-D-glucopyranoside | C13H17O10P

2-(Hydroxymethyl)phenyl 6-O-phosphonato-β-D-glucopyranoside

  • Molecular FormulaC13H17O10P
  • Average mass364.243 Da
  • Monoisotopic mass364.057037 Da
  • ChemSpider ID28184682

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(Hydroxymethyl)phenyl 6-O-phosphonato-β-D-glucopyranoside [ACD/IUPAC Name]
2-(Hydroxymethyl)phenyl-6-O-phosphonato-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Phosphonato-β-D-glucopyranoside de 2-(hydroxyméthyl)phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, 6-(dihydrogen phosphate), ion(2-) [ACD/Index Name]
[3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]-tetrahydropyran-2-yl]methoxyphosphonic acid(2-)
salicin-6-phosphate
salicin-6-phosphate dianion
salicin-6-phosphate(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of both phosphate OH groups of salicin-6-phosphate; major species at pH 7.3. ChEBI CHEBI:64794

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

Density:
Boiling Point: 671.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.30
ACD/LogD (pH 5.5): -5.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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