ChemSpider 2D Image | (1R,1'R,2R,2'R,3R,3'R,4R,4'R)-2,2',3,3',4,4',8,8'-Octahydroxy-6,6'-dimethoxy-3,3'-dimethyl-1,1',2,2',3,3',4,4'-octahydro-1,1'-bianthracene-9,9',10,10'-tetrone | C32H30O14

(1R,1'R,2R,2'R,3R,3'R,4R,4'R)-2,2',3,3',4,4',8,8'-Octahydroxy-6,6'-dimethoxy-3,3'-dimethyl-1,1',2,2',3,3',4,4'-octahydro-1,1'-bianthracene-9,9',10,10'-tetrone

  • Molecular FormulaC32H30O14
  • Average mass638.572 Da
  • Monoisotopic mass638.163574 Da
  • ChemSpider ID29214727

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

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

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1004.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.6±3.0 kJ/mol
Flash Point: 326.9±27.8 °C
Index of Refraction: 1.766
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 53.82
ACD/KOC (pH 5.5): 542.98
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.77
Polar Surface Area: 249 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 112.9±5.0 dyne/cm
Molar Volume: 364.6±5.0 cm3

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