ChemSpider 2D Image | (6R,6'S,7S,7'R)-1',4,6,6',7,7'-Hexahydroxy-2,3'-dimethoxy-6',7-dimethyl-5,5',6,6',7,7',8,8'-octahydro-1,2'-bianthracene-9,9',10,10'-tetrone | C32H30O12

(6R,6'S,7S,7'R)-1',4,6,6',7,7'-Hexahydroxy-2,3'-dimethoxy-6',7-dimethyl-5,5',6,6',7,7',8,8'-octahydro-1,2'-bianthracene-9,9',10,10'-tetrone

  • Molecular FormulaC32H30O12
  • Average mass606.573 Da
  • Monoisotopic mass606.173706 Da
  • ChemSpider ID34981546

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6R,6'S,7S,7'R)-1',4,6,6',7,7'-Hexahydroxy-2,3'-dimethoxy-6',7-dimethyl-5,5',6,6',7,7',8,8'-octahydro-1,2'-bianthracen-9,9',10,10'-tetron [German] [ACD/IUPAC Name]
(6R,6'S,7S,7'R)-1',4,6,6',7,7'-Hexahydroxy-2,3'-dimethoxy-6',7-dimethyl-5,5',6,6',7,7',8,8'-octahydro-1,2'-bianthracene-9,9',10,10'-tetrone [ACD/IUPAC Name]
(6R,6'S,7S,7'R)-1',4,6,6',7,7'-Hexahydroxy-2,3'-diméthoxy-6',7-diméthyl-5,5',6,6',7,7',8,8'-octahydro-1,2'-bianthracène-9,9',10,10'-tétrone [French] [ACD/IUPAC Name]
[1,2'-Bianthracene]-9,9',10,10'-tetrone, 5,5',6,6',7,7',8,8'-octahydro-1',4,6,6',7,7'-hexahydroxy-2,3'-dimethoxy-6',7-dimethyl-, (6R,6'S,7S,7'R)- [ACD/Index Name]
alterporriol U

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

Density: 1.7±0.1 g/cm3
Boiling Point: 921.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.5±3.0 kJ/mol
Flash Point: 301.6±27.8 °C
Index of Refraction: 1.740
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 22.61
ACD/KOC (pH 5.5): 196.26
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 99.5±5.0 dyne/cm
Molar Volume: 366.9±5.0 cm3

Click to predict properties on the Chemicalize site


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