ChemSpider 2D Image | 2-(Hydroxymethyl)-4-oxo-5-(2-oxopropyl)-4H-chromen-7-yl beta-D-glucopyranoside | C19H22O10

2-(Hydroxymethyl)-4-oxo-5-(2-oxopropyl)-4H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC19H22O10
  • Average mass410.372 Da
  • Monoisotopic mass410.121307 Da
  • ChemSpider ID22913939

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(Hydroxymethyl)-4-oxo-5-(2-oxopropyl)-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
2-(Hydroxymethyl)-4-oxo-5-(2-oxopropyl)-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2-(hydroxymethyl)-5-(2-oxopropyl)- [ACD/Index Name]
β-D-Glucopyranoside de 2-(hydroxyméthyl)-4-oxo-5-(2-oxopropyl)-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 731.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 261.7±26.4 °C
Index of Refraction: 1.637
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.40
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.40
Polar Surface Area: 163 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 76.5±3.0 dyne/cm
Molar Volume: 267.2±3.0 cm3

Click to predict properties on the Chemicalize site


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