ChemSpider 2D Image | Camellianin A | C29H32O15

Camellianin A

  • Molecular FormulaC29H32O15
  • Average mass620.555 Da
  • Monoisotopic mass620.174133 Da
  • ChemSpider ID4589325

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

109232-77-1 [RN]
4H-1-Benzopyran-4-one, 5-((6-O-acetyl-4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-7-hydroxy-2-(4-hydroxyphenyl)-
4H-1-Benzopyran-4-one, 5-[[6-O-acetyl-4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-O-Acétyl-4-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 7-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]
7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl 6-O-acetyl-4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl-6-O-acetyl-4-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Camellianin A
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-{[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-{[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate
4H-1-Benzopyran-4-one,5-[[6-O-acetyl-4-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 923.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.6±3.0 kJ/mol
Flash Point: 302.2±27.8 °C
Index of Refraction: 1.693
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.08
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.77
Polar Surface Area: 231 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 94.4±5.0 dyne/cm
Molar Volume: 377.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement