ChemSpider 2D Image | (6R)-3-O-Acetyl-2,6-anhydro-1,4-dideoxy-4-(dimethylamino)-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-D-galactitol | C31H33NO9

(6R)-3-O-Acetyl-2,6-anhydro-1,4-dideoxy-4-(dimethylamino)-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-D-galactitol

  • Molecular FormulaC31H33NO9
  • Average mass563.595 Da
  • Monoisotopic mass563.215515 Da
  • ChemSpider ID9039962

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-3-O-Acetyl-2,6-anhydro-1,4-dideoxy-4-(dimethylamino)-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-D-galactitol [ACD/IUPAC Name]
(6R)-3-O-Acetyl-2,6-anhydro-1,4-didesoxy-4-(dimethylamino)-6-(1-hydroxy-10,12-dimethoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromen-4-yl)-D-galactitol [German] [ACD/IUPAC Name]
(6R)-3-O-Acétyl-2,6-anhydro-1,4-didésoxy-4-(diméthylamino)-6-(1-hydroxy-10,12-diméthoxy-6-oxo-8-vinyl-6H-dibenzo[c,h]chromén-4-yl)-D-galactitol [French] [ACD/IUPAC Name]
D-Galactitol, 2,6-anhydro-1,4-dideoxy-4-(dimethylamino)-6-C-(8-ethenyl-1-hydroxy-10,12-dimethoxy-6-oxo-6H-benzo[d]naphtho[1,2-b]pyran-4-yl)-, 3-acetate, (6R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 783.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 427.7±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 25.78
ACD/KOC (pH 5.5): 111.94
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 793.24
ACD/KOC (pH 7.4): 3444.80
Polar Surface Area: 124 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 409.1±5.0 cm3

Click to predict properties on the Chemicalize site


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