ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 4-O-(6-O-acetyl-beta-D-glucopyranosyl)-6-deoxy-alpha-L-mannopyranoside | C29H32O16

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC29H32O16
  • Average mass636.555 Da
  • Monoisotopic mass636.169006 Da
  • ChemSpider ID10290052

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
4-O-(6-O-Acétyl-β-D-glucopyranosyl)-6-désoxy-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
61358-52-9 [RN]
multiflorin A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 931.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.9±3.0 kJ/mol
Flash Point: 303.9±27.8 °C
Index of Refraction: 1.708
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.64
ACD/KOC (pH 5.5): 64.67
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.11
Polar Surface Area: 251 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 101.9±5.0 dyne/cm
Molar Volume: 375.0±5.0 cm3

Click to predict properties on the Chemicalize site


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