ChemSpider 2D Image | Ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-2-C-(4-hydroxy-3-methoxyphenyl)-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C31H40O15

Ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-2-C-(4-hydroxy-3-methoxyphenyl)-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC31H40O15
  • Average mass652.640 Da
  • Monoisotopic mass652.236694 Da
  • ChemSpider ID4946416

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-O-(6-Désoxy-α-L-mannopyranosyl)-2-C-(4-hydroxy-3-méthoxyphényl)-4-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranoside d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-2-C-(4-hydroxy-3-methoxyphenyl)-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
Ethyl-3-O-(6-desoxy-α-L-mannopyranosyl)-2-C-(4-hydroxy-3-methoxyphenyl)-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, ethyl 3-O-(6-deoxy-α-L-mannopyranosyl)-2-C-(4-hydroxy-3-methoxyphenyl)-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
94492-21-4 [RN]
Cistanoside D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 863.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.5±3.0 kJ/mol
Flash Point: 274.3±27.8 °C
Index of Refraction: 1.642
Molar Refractivity: 158.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.68
ACD/KOC (pH 5.5): 202.11
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.60
ACD/KOC (pH 7.4): 200.71
Polar Surface Area: 223 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 437.9±5.0 cm3

Click to predict properties on the Chemicalize site


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