ChemSpider 2D Image | (5R,5'R,6R,6'R,10aR,10a'R)-1,1',5,5',9,9'-Hexahydroxy-10a,10a'-bis(hydroxymethyl)-6,6'-dimethyl-5,5',6,6',7,7',10a,10a'-octahydro-8H,8'H-4,4'-bixanthene-8,8'-dione | C30H30O12

(5R,5'R,6R,6'R,10aR,10a'R)-1,1',5,5',9,9'-Hexahydroxy-10a,10a'-bis(hydroxymethyl)-6,6'-dimethyl-5,5',6,6',7,7',10a,10a'-octahydro-8H,8'H-4,4'-bixanthene-8,8'-dione

  • Molecular FormulaC30H30O12
  • Average mass582.552 Da
  • Monoisotopic mass582.173706 Da
  • ChemSpider ID9050863

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5R,5'R,6R,6'R,10aR,10a'R)-1,1',5,5',9,9'-Hexahydroxy-10a,10a'-bis(hydroxymethyl)-6,6'-dimethyl-5,5',6,6',7,7',10a,10a'-octahydro-8H,8'H-4,4'-bixanthen-8,8'-dion [German] [ACD/IUPAC Name]
(5R,5'R,6R,6'R,10aR,10a'R)-1,1',5,5',9,9'-Hexahydroxy-10a,10a'-bis(hydroxymethyl)-6,6'-dimethyl-5,5',6,6',7,7',10a,10a'-octahydro-8H,8'H-4,4'-bixanthene-8,8'-dione [ACD/IUPAC Name]
(5R,5'R,6R,6'R,10aR,10a'R)-1,1',5,5',9,9'-Hexahydroxy-10a,10a'-bis(hydroxyméthyl)-6,6'-diméthyl-5,5',6,6',7,7',10a,10a'-octahydro-8H,8'H-4,4'-bixanthène-8,8'-dione [French] [ACD/IUPAC Name]
[5,5'-Bi-1H-xanthene]-1,1'-dione, 2,2',3,3',4,4',4a,4'a-octahydro-4,4',8,8',9,9'-hexahydroxy-4a,4'a-bis(hydroxymethyl)-3,3'-dimethyl-, (3R,3'R,4R,4'R,4aR,4a'R)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 920.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.2±3.0 kJ/mol
Flash Point: 304.6±27.8 °C
Index of Refraction: 1.778
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.57
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 214 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 113.2±5.0 dyne/cm
Molar Volume: 337.8±5.0 cm3

Click to predict properties on the Chemicalize site


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