ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranoside | C33H42O14

5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranoside

  • Molecular FormulaC33H42O14
  • Average mass662.678 Da
  • Monoisotopic mass662.257446 Da
  • ChemSpider ID109484806

  • defined stereocentres - 10 of 12 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-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranosyl]oxy]-2,3-dihydro-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-3,4-dihydro-2H-chromen-3-yl 6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-3,4-dihydro-2H-chromen-3-yl-6-desoxy-2-O-(6-desoxy-α-L-mannopyranosyl)-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2-O-(6-désoxy-α-L-mannopyranosyl)-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-3,4-dihydro-2H-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: 892.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 282.4±27.8 °C
Index of Refraction: 1.653
Molar Refractivity: 163.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 434.83
ACD/KOC (pH 5.5): 2681.14
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 201.22
ACD/KOC (pH 7.4): 1240.73
Polar Surface Area: 214 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 78.4±5.0 dyne/cm
Molar Volume: 446.1±5.0 cm3

Click to predict properties on the Chemicalize site


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