ChemSpider 2D Image | (5R,5'R,6S,6'S,10aR,10a'R)-1,1',5,5'-Tetrahydroxy-6,6'-dimethoxy-3,3',10a,10a'-tetramethyl-5,5',6,6',7,7',10a,10a'-octahydro-9H,9'H-2,2'-bixanthene-9,9'-dione | C32H34O10

(5R,5'R,6S,6'S,10aR,10a'R)-1,1',5,5'-Tetrahydroxy-6,6'-dimethoxy-3,3',10a,10a'-tetramethyl-5,5',6,6',7,7',10a,10a'-octahydro-9H,9'H-2,2'-bixanthene-9,9'-dione

  • Molecular FormulaC32H34O10
  • Average mass578.606 Da
  • Monoisotopic mass578.215210 Da
  • ChemSpider ID9653546

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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(5R,5'R,6S,6'S,10aR,10a'R)-1,1',5,5'-Tetrahydroxy-6,6'-dimethoxy-3,3',10a,10a'-tetramethyl-5,5',6,6',7,7',10a,10a'-octahydro-9H,9'H-2,2'-bixanthen-9,9'-dion [German] [ACD/IUPAC Name]
(5R,5'R,6S,6'S,10aR,10a'R)-1,1',5,5'-Tetrahydroxy-6,6'-dimethoxy-3,3',10a,10a'-tetramethyl-5,5',6,6',7,7',10a,10a'-octahydro-9H,9'H-2,2'-bixanthene-9,9'-dione [ACD/IUPAC Name]
(5R,5'R,6S,6'S,10aR,10a'R)-1,1',5,5'-Tétrahydroxy-6,6'-diméthoxy-3,3',10a,10a'-tétraméthyl-5,5',6,6',7,7',10a,10a'-octahydro-9H,9'H-2,2'-bixanthène-9,9'-dione [French] [ACD/IUPAC Name]
[7,7'-Bi-3H-xanthene]-9,9'(2H,2'H)-dione, 4,4',4a,4'a-tetrahydro-4,4',8,8'-tetrahydroxy-3,3'-dimethoxy-4a,4'a,6,6'-tetramethyl-, (3S,3'S,4R,4'R,4aR,4a'R)- [ACD/Index Name]
Ascherxanthone A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 799.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 259.9±26.4 °C
Index of Refraction: 1.681
Molar Refractivity: 148.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 756.71
ACD/KOC (pH 5.5): 3761.75
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 15.53
ACD/KOC (pH 7.4): 77.18
Polar Surface Area: 152 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 392.4±5.0 cm3

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