ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-[(3xi)-beta-D-erythro-pentopyranosyl]-alpha-L-erythro-hexopyranoside | C32H38O14

5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-[(3ξ)-β-D-erythro-pentopyranosyl]-α-L-erythro-hexopyranoside

  • Molecular FormulaC32H38O14
  • Average mass646.636 Da
  • Monoisotopic mass646.226135 Da
  • ChemSpider ID24844732

  • defined stereocentres - 6 of 9 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[(3ξ)-β-D-erythro-pentopyranosyl]-α-L-erythro-hexopyranosyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-[(3ξ)-β-D-erythro-pentopyranosyl]-α-L-erythro-hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl-6-desoxy-2-O-[(3ξ)-β-D-erythro-pentopyranosyl]-α-L-erythro-hexopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2-O-[(3ξ)-β-D-érythro-pentopyranosyl]-α-L-érythro-hexopyranoside de 5,7-dihydroxy-2-(4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yle [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: 895.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 286.5±27.8 °C
Index of Refraction: 1.674
Molar Refractivity: 158.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 39.26
ACD/KOC (pH 5.5): 458.16
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 2.40
ACD/KOC (pH 7.4): 27.97
Polar Surface Area: 214 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 83.5±5.0 dyne/cm
Molar Volume: 421.2±5.0 cm3

Click to predict properties on the Chemicalize site


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