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Search term: NGFMICBWJRZIBI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(Hydroxymethyl)phenyl (5xi)-beta-D-xylo-hexopyranoside | C13H18O7

2-(Hydroxymethyl)phenyl (5ξ)-β-D-xylo-hexopyranoside

  • Molecular FormulaC13H18O7
  • Average mass286.278 Da
  • Monoisotopic mass286.105255 Da
  • ChemSpider ID35294441

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(5ξ)-β-D-xylo-Hexopyranoside de 2-(hydroxyméthyl)phényle [French] [ACD/IUPAC Name]
2-(Hydroxymethyl)phenyl (5ξ)-β-D-xylo-hexopyranoside [ACD/IUPAC Name]
2-(Hydroxymethyl)phenyl-(5ξ)-β-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
β-D-xylo-Hexopyranoside, 2-(hydroxymethyl)phenyl, (5ξ)- [ACD/Index Name]
[138-52-3] [RN]
D(-)-Salicin
MFCD00006590 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 549.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.9±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 68.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.85
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.72
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.72
Polar Surface Area: 120 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 190.3±3.0 cm3

Click to predict properties on the Chemicalize site


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