ChemSpider 2D Image | Sophorabioside | C27H30O14

Sophorabioside

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID16736030

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2945-88-2 [RN]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 4-(5,7-dihydroxy-4-oxo-4H-chromén-3-yl)phényle [French] [ACD/IUPAC Name]
3-[4-[[2-O-(6-Deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
4-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)phenyl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
4-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)phenyl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[4-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy- [ACD/Index Name]
Genistein-4'-glucosidorhamnoside
Sophorabioside
3-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one
3-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxyphenyl]-5,7-dihydroxy-chromen-4-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5099K4JI8K [DBID]
UNII:5099K4JI8K [DBID]
UNII-5099K4JI8K [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 895.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.3±3.0 kJ/mol
Flash Point: 298.2±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.67
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.56
Polar Surface Area: 225 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 104.9±5.0 dyne/cm
Molar Volume: 340.4±5.0 cm3

Click to predict properties on the Chemicalize site


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