ChemSpider 2D Image | (2S)-2-(3-Hydroxy-4-methoxyphenyl)-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-beta-L-mannopyranosyl)-alpha-D-mannopyranoside | C29H36O15

(2S)-2-(3-Hydroxy-4-methoxyphenyl)-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-β-L-mannopyranosyl)-α-D-mannopyranoside

  • Molecular FormulaC29H36O15
  • Average mass624.587 Da
  • Monoisotopic mass624.205444 Da
  • ChemSpider ID114392012

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S)-2-(3-Hydroxy-4-methoxyphenyl)-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-β-L-mannopyranosyl)-α-D-mannopyranoside [ACD/IUPAC Name]
(2S)-2-(3-Hydroxy-4-methoxyphenyl)-5-methoxy-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-(6-desoxy-β-L-mannopyranosyl)-α-D-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-β-L-mannopyranosyl)-α-D-mannopyranosyl]oxy]-2,3-dihydro-2-(3-hydroxy-4-methoxyphenyl)-5-methoxy-, (2S)- [ACD/Index Name]
6-O-(6-Désoxy-β-L-mannopyranosyl)-α-D-mannopyranoside de (2S)-2-(3-hydroxy-4-méthoxyphényl)-5-méthoxy-4-oxo-3,4-dihydro-2H-chromén-7-yle [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: 914.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.3±3.0 kJ/mol
Flash Point: 297.7±27.8 °C
Index of Refraction: 1.668
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.16
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.99
Polar Surface Area: 223 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 87.6±5.0 dyne/cm
Molar Volume: 394.1±5.0 cm3

Click to predict properties on the Chemicalize site


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