ChemSpider 2D Image | cypellocarpin C | C26H32O11

cypellocarpin C

  • Molecular FormulaC26H32O11
  • Average mass520.526 Da
  • Monoisotopic mass520.194458 Da
  • ChemSpider ID8801154

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-7-[[6-O-[[(4R)-4-(1-hydroxy-1-methylethyl)-1-cyclohexen-1-yl]carbonyl]-β-D-glucopyranosyl]oxy]-2-methyl- [ACD/Index Name]
5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl 6-O-{[(4R)-4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-β-D-glucopyranoside [ACD/IUPAC Name]
5-hydroxy-2-methyl-4-oxo-4H-chromen-7-yl 6-O-{[(4R)-4-(2-hydroxypropan-2-yl)cyclohex-1-en-1-yl]carbonyl}-β-D-glucopyranoside
5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl-6-O-{[(4R)-4-(2-hydroxy-2-propanyl)-1-cyclohexen-1-yl]carbonyl}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-{[(4R)-4-(2-Hydroxy-2-propanyl)-1-cyclohexén-1-yl]carbonyl}-β-D-glucopyranoside de 5-hydroxy-2-méthyl-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
cypellocarpin C
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
294856-66-9 [RN]
cypellocarpa C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 764.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 255.6±26.4 °C
Index of Refraction: 1.623
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 19.22
ACD/KOC (pH 5.5): 273.11
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 18.46
Polar Surface Area: 172 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 360.6±3.0 cm3

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