ChemSpider 2D Image | 4-[(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoyl]-3,5-dimethoxyphenyl 6-O-(6-deoxy-beta-L-mannopyranosyl)-D-glucopyranoside | C31H40O15

4-[(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoyl]-3,5-dimethoxyphenyl 6-O-(6-deoxy-β-L-mannopyranosyl)-D-glucopyranoside

  • Molecular FormulaC31H40O15
  • Average mass652.640 Da
  • Monoisotopic mass652.236694 Da
  • ChemSpider ID8547536

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

2-Propen-1-one, 1-[4-[[6-O-(6-deoxy-β-L-mannopyranosyl)-D-glucopyranosyl]oxy]-2,6-dimethoxyphenyl]-3-(3,4-dimethoxyphenyl)-, (2E)- [ACD/Index Name]
4-[(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoyl]-3,5-dimethoxyphenyl 6-O-(6-deoxy-β-L-mannopyranosyl)-D-glucopyranoside [ACD/IUPAC Name]
4-[(2E)-3-(3,4-Dimethoxyphenyl)-2-propenoyl]-3,5-dimethoxyphenyl-6-O-(6-desoxy-β-L-mannopyranosyl)-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-β-L-mannopyranosyl)-D-glucopyranoside de 4-[(2E)-3-(3,4-diméthoxyphényl)-2-propenoyl]-3,5-diméthoxyphényle [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: 909.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.5±3.0 kJ/mol
Flash Point: 289.9±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 158.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.24
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.24
Polar Surface Area: 212 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 446.4±5.0 cm3

Click to predict properties on the Chemicalize site


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