ChemSpider 2D Image | Icariin | C33H40O15

Icariin

  • Molecular FormulaC33H40O15
  • Average mass676.662 Da
  • Monoisotopic mass676.236694 Da
  • ChemSpider ID4477421
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

3-[(6-deoxy-a-L-mannopyranosyl)oxy]-7-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
489-32-7 [RN]
4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
Icariin [Wiki]
β-D-Glucopyranoside de 3-[(6-désoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-méthoxyphényl)-8-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-((6-Deoxymannopyranosyl)oxy)-7-(glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
More...

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

KBio3_002099 [DBID]
KBioGR_002475 [DBID]
SDCCGMLS-0066754.P001 [DBID]
SPBio_001650 [DBID]
Spectrum2_001695 [DBID]
Spectrum3_001130 [DBID]
Spectrum4_001975 [DBID]
ZINC03960893 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 948.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.6±3.0 kJ/mol
Flash Point: 300.9±27.8 °C
Index of Refraction: 1.679
Molar Refractivity: 164.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 42.48
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 234 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 87.0±5.0 dyne/cm
Molar Volume: 435.0±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form