ChemSpider 2D Image | 3-O-(6-Deoxy-alpha-D-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-L-glucose | C21H28O13

3-O-(6-Deoxy-α-D-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-L-glucose

  • Molecular FormulaC21H28O13
  • Average mass488.439 Da
  • Monoisotopic mass488.152985 Da
  • ChemSpider ID82965586

  • 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

3-O-(6-Deoxy-α-D-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-L-glucose [ACD/IUPAC Name]
3-O-(6-Desoxy-α-D-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-L-glucose [German] [ACD/IUPAC Name]
3-O-(6-Désoxy-α-D-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-L-glucose [French] [ACD/IUPAC Name]
L-Glucose, 3-O-(6-deoxy-α-D-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
[(2S,3S,4S,5S)-1,2,5-Trihydroxy-6-oxo-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
97411-47-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 880.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.1±3.0 kJ/mol
Flash Point: 302.8±27.8 °C
Index of Refraction: 1.654
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.11
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.53
Polar Surface Area: 224 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 94.7±5.0 dyne/cm
Molar Volume: 305.2±5.0 cm3

Click to predict properties on the Chemicalize site


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