ChemSpider 2D Image | 3-Hydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)acryloyl]-5-methoxyphenyl 6-O-(6-deoxyhexopyranosyl)hexopyranoside | C29H36O15

3-Hydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)acryloyl]-5-methoxyphenyl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID2998206

More details:

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

2-Propen-1-one, 1-[4-[[6-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
3-Hydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)acryloyl]-5-methoxyphenyl 6-O-(6-deoxyhexopyranosyl)hexopyranoside [ACD/IUPAC Name]
3-Hydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)acryloyl]-5-methoxyphenyl-6-O-(6-desoxyhexopyranosyl)hexopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxyhexopyranosyl)hexopyranoside de 3-hydroxy-4-[3-(3-hydroxy-4-méthoxyphényl)acryloyl]-5-méthoxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 953.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.3±3.0 kJ/mol
Flash Point: 309.5±27.8 °C
Index of Refraction: 1.672
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.41
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.40
Polar Surface Area: 234 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 89.7±5.0 dyne/cm
Molar Volume: 396.9±5.0 cm3

Click to predict properties on the Chemicalize site


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