ChemSpider 2D Image | (5'R,6'S,7'S,8'S)-1',2,5',6',7',8,8'-Heptahydroxy-3',6-dimethoxy-3,6'-dimethyl-5',6',7',8'-tetrahydro-1,2'-bianthracene-9,9',10,10'-tetrone | C32H26O13

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

  • Molecular FormulaC32H26O13
  • Average mass618.541 Da
  • Monoisotopic mass618.137329 Da
  • ChemSpider ID88297090

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5'R,6'S,7'S,8'S)-1',2,5',6',7',8,8'-Heptahydroxy-3',6-dimethoxy-3,6'-dimethyl-5',6',7',8'-tetrahydro-1,2'-bianthracen-9,9',10,10'-tetron [German] [ACD/IUPAC Name]
(5'R,6'S,7'S,8'S)-1',2,5',6',7',8,8'-Heptahydroxy-3',6-dimethoxy-3,6'-dimethyl-5',6',7',8'-tetrahydro-1,2'-bianthracene-9,9',10,10'-tetrone [ACD/IUPAC Name]
(5'R,6'S,7'S,8'S)-1',2,5',6',7',8,8'-Heptahydroxy-3',6-diméthoxy-3,6'-diméthyl-5',6',7',8'-tétrahydro-1,2'-bianthracène-9,9',10,10'-tétrone [French] [ACD/IUPAC Name]
[1,2'-Bianthracene]-9,9',10,10'-tetrone, 5',6',7',8'-tetrahydro-1',2,5',6',7',8,8'-heptahydroxy-3',6-dimethoxy-3,6'-dimethyl-, (5'R,6'S,7'S,8'S)- [ACD/Index Name]
118074-08-1 [RN]
alterporriol C

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

Density: 1.8±0.1 g/cm3
Boiling Point: 942.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.6±3.0 kJ/mol
Flash Point: 309.0±27.8 °C
Index of Refraction: 1.793
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 106.91
ACD/KOC (pH 5.5): 556.12
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 117.9±5.0 dyne/cm
Molar Volume: 350.5±5.0 cm3

Click to predict properties on the Chemicalize site


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