ChemSpider 2D Image | 3-Acetamido-4-O-acetyl-1,5-anhydro-3,6-dideoxy-1-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)hexitol | C31H31NO10

3-Acetamido-4-O-acetyl-1,5-anhydro-3,6-dideoxy-1-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)hexitol

  • Molecular FormulaC31H31NO10
  • Average mass577.578 Da
  • Monoisotopic mass577.194824 Da
  • ChemSpider ID78444215

More details:

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

3-Acetamido-4-O-acetyl-1,5-anhydro-3,6-dideoxy-1-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)hexitol [ACD/IUPAC Name]
3-Acetamido-4-O-acetyl-1,5-anhydro-3,6-didesoxy-1-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)hexitol [German] [ACD/IUPAC Name]
3-Acétamido-4-O-acétyl-1,5-anhydro-3,6-didésoxy-1-(1-hydroxy-10,12-diméthoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromén-4-yl)hexitol [French] [ACD/IUPAC Name]
Hexitol, 3-(acetylamino)-1,5-anhydro-3,6-dideoxy-1-C-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-, 4-acetate [ACD/Index Name]
FE35B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 873.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.0±3.0 kJ/mol
Flash Point: 482.2±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 372.25
ACD/KOC (pH 5.5): 2408.10
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 343.85
ACD/KOC (pH 7.4): 2224.40
Polar Surface Area: 150 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 407.0±5.0 cm3

Click to predict properties on the Chemicalize site


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