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-C-methyl-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranoside | C33H40O14

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

  • Molecular FormulaC33H40O14
  • Average mass660.662 Da
  • Monoisotopic mass660.241821 Da
  • ChemSpider ID58172165

  • defined stereocentres - 9 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-C-methyl-2-O-β-D-xylopyranosyl-α-L-mannopyranosyl)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-C-methyl-2-O-β-D-xylopyranosyl-α-L-mannopyranoside [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-C-methyl-2-O-β-D-xylopyranosyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2-C-méthyl-2-O-β-D-xylopyranosyl-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Sagittatoside B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 888.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 281.7±27.8 °C
Index of Refraction: 1.668
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 75.74
ACD/KOC (pH 5.5): 733.26
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 4.62
ACD/KOC (pH 7.4): 44.76
Polar Surface Area: 214 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 437.1±5.0 cm3

Click to predict properties on the Chemicalize site


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