ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxo-4H-chromen-3-yl beta-D-mannopyranoside | C27H32O14

2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxo-4H-chromen-3-yl β-D-mannopyranoside

  • Molecular FormulaC27H32O14
  • Average mass580.535 Da
  • Monoisotopic mass580.179199 Da
  • ChemSpider ID127384005

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxo-4H-chromen-3-yl β-D-mannopyranoside [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxo-4H-chromen-3-yl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3-(β-D-mannopyranosyloxy)-5,6,7,8-tetramethoxy- [ACD/Index Name]
β-D-Mannopyranoside de 2-(3,4-diméthoxyphényl)-5,6,7,8-tétraméthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
98891-93-1 [RN]
Compound NP-023817
Natsudaidain 3-O-β-D-glucoside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 824.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 271.8±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.81
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.81
Polar Surface Area: 181 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 389.5±5.0 cm3

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