ChemSpider 2D Image | Oregonin | C24H30O10

Oregonin

  • Molecular FormulaC24H30O10
  • Average mass478.489 Da
  • Monoisotopic mass478.183899 Da
  • ChemSpider ID22913739

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S)-1,7-Bis(3,4-dihydroxyphenyl)-5-oxo-3-heptanyl β-D-xylopyranoside [ACD/IUPAC Name]
(3S)-1,7-Bis(3,4-dihydroxyphenyl)-5-oxo-3-heptanyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
3-Heptanone, 1,7-bis(3,4-dihydroxyphenyl)-5-(β-D-xylopyranosyloxy)-, (5S)- [ACD/Index Name]
55303-93-0 [RN]
MFCD24849303
Oregonin
β-D-Xylopyranoside de (3S)-1,7-bis(3,4-dihydroxyphényl)-5-oxo-3-heptanyle [French] [ACD/IUPAC Name]
(5S)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one
BRD-K30047190-001-01-8
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464570/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 824.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 281.5±27.8 °C
Index of Refraction: 1.672
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.24
ACD/KOC (pH 5.5): 80.69
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.19
ACD/KOC (pH 7.4): 79.54
Polar Surface Area: 177 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 318.5±5.0 cm3

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