ChemSpider 2D Image | Ikarisoside B | C32H38O15

Ikarisoside B

  • Molecular FormulaC32H38O15
  • Average mass662.635 Da
  • Monoisotopic mass662.221069 Da
  • ChemSpider ID90615839
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

113558-10-4 [RN]
4H-1-BEnzopyran-4-one, 3-[(6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-3-yl-6-desoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-2-O-β-D-glucopyranosyl-α-L-mannopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Ikarisoside B

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 955.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.7±3.0 kJ/mol
Flash Point: 305.6±27.8 °C
Index of Refraction: 1.705
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 62.82
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.41
Polar Surface Area: 245 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 96.2±5.0 dyne/cm
Molar Volume: 410.3±5.0 cm3

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