ChemSpider 2D Image | hebitol II | C21H30O14

hebitol II

  • Molecular FormulaC21H30O14
  • Average mass506.454 Da
  • Monoisotopic mass506.163544 Da
  • ChemSpider ID30837394

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1-O-{6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-D-mannitol [German] [ACD/IUPAC Name]
1-O-{6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-D-mannitol [ACD/IUPAC Name]
1-O-{6-O-[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 1-O-[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]- [ACD/Index Name]
hebitol II

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

Density: 1.7±0.1 g/cm3
Boiling Point: 935.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.5±3.0 kJ/mol
Flash Point: 319.1±27.8 °C
Index of Refraction: 1.681
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.16
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 247 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 108.5±5.0 dyne/cm
Molar Volume: 302.8±5.0 cm3

Click to predict properties on the Chemicalize site


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