ChemSpider 2D Image | (6S)-3-O-Acetyl-2,6-anhydro-1-deoxy-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-L-glucitol | C30H30O10

(6S)-3-O-Acetyl-2,6-anhydro-1-deoxy-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-L-glucitol

  • Molecular FormulaC30H30O10
  • Average mass550.553 Da
  • Monoisotopic mass550.183899 Da
  • ChemSpider ID78438825

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6S)-3-O-Acetyl-2,6-anhydro-1-deoxy-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-L-glucitol [ACD/IUPAC Name]
(6S)-3-O-Acetyl-2,6-anhydro-1-desoxy-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-4-C-methyl-L-glucitol [German] [ACD/IUPAC Name]
(6S)-3-O-Acétyl-2,6-anhydro-1-désoxy-6-(1-hydroxy-10,12-diméthoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromén-4-yl)-4-C-méthyl-L-glucitol [French] [ACD/IUPAC Name]
L-Glucitol, 2,6-anhydro-1-deoxy-6-C-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-4-C-methyl-, 3-acetate, (6S)- [ACD/Index Name]
(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate
4'-Acetyl Chrysomycin A
4'-acetylchrysomycin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 789.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 260.4±26.4 °C
Index of Refraction: 1.667
Molar Refractivity: 142.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1650.63
ACD/KOC (pH 5.5): 6993.15
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1535.14
ACD/KOC (pH 7.4): 6503.87
Polar Surface Area: 141 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 383.8±5.0 cm3

Click to predict properties on the Chemicalize site


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