ChemSpider 2D Image | 11-Hydroxy-8-methoxy-4-methyl-1-oxo-1,5-dihydronaphtho[2,3-c]oxepin-10-yl beta-D-glucopyranoside | C22H24O10

11-Hydroxy-8-methoxy-4-methyl-1-oxo-1,5-dihydronaphtho[2,3-c]oxepin-10-yl β-D-glucopyranoside

  • Molecular FormulaC22H24O10
  • Average mass448.420 Da
  • Monoisotopic mass448.136932 Da
  • ChemSpider ID95504660

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

11-Hydroxy-8-methoxy-4-methyl-1-oxo-1,5-dihydronaphtho[2,3-c]oxepin-10-yl β-D-glucopyranoside [ACD/IUPAC Name]
11-Hydroxy-8-methoxy-4-methyl-1-oxo-1,5-dihydronaphtho[2,3-c]oxepin-10-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Naphth[2,3-c]oxepin-1(5H)-one, 10-(β-D-glucopyranosyloxy)-11-hydroxy-8-methoxy-4-methyl- [ACD/Index Name]
β-D-Glucopyranoside de 11-hydroxy-8-méthoxy-4-méthyl-1-oxo-1,5-dihydronaphto[2,3-c]oxépin-10-yle [French] [ACD/IUPAC Name]
11-hydroxy-8-methoxy-4-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5H-benzo[h][2]benzoxepin-1-one
2095596-67-9 [RN]
Rheumone B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 761.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 266.9±26.4 °C
Index of Refraction: 1.674
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.27
ACD/KOC (pH 5.5): 96.90
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.67
Polar Surface Area: 155 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 73.7±3.0 dyne/cm
Molar Volume: 296.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement