ChemSpider 2D Image | (6R,6'R,7R,7'R,8R,8'R)-4,4',6,6',7,7',8,8'-Octahydroxy-2,2'-dimethoxy-7,7'-dimethyl-5,5',6,6',7,7',8,8'-octahydro-1,1'-bianthracene-9,9',10,10'-tetrone | C32H30O14

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

  • Molecular FormulaC32H30O14
  • Average mass638.572 Da
  • Monoisotopic mass638.163574 Da
  • ChemSpider ID29214726
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 980.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.6±3.0 kJ/mol
Flash Point: 318.9±27.8 °C
Index of Refraction: 1.772
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: 3.04
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 5.34
ACD/KOC (pH 5.5): 74.46
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 249 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 115.7±5.0 dyne/cm
Molar Volume: 362.4±5.0 cm3

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