ChemSpider 2D Image | (5R,5'R,6R,6'R,10aR,10a'R)-1,1',8,8'-Tetrahydroxy-10a,10a'-bis(hydroxymethyl)-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-4,4'-bixanthene-5,5'-diyl diacetate | C34H34O14

(5R,5'R,6R,6'R,10aR,10a'R)-1,1',8,8'-Tetrahydroxy-10a,10a'-bis(hydroxymethyl)-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-4,4'-bixanthene-5,5'-diyl diacetate

  • Molecular FormulaC34H34O14
  • Average mass666.625 Da
  • Monoisotopic mass666.194885 Da
  • ChemSpider ID30771383

  • 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',8,8'-Tetrahydroxy-10a,10a'-bis(hydroxymethyl)-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-4,4'-bixanthen-5,5'-diyl-diacetat [German] [ACD/IUPAC Name]
(5R,5'R,6R,6'R,10aR,10a'R)-1,1',8,8'-Tetrahydroxy-10a,10a'-bis(hydroxymethyl)-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-4,4'-bixanthene-5,5'-diyl diacetate [ACD/IUPAC Name]
[5,5'-Bi-3H-xanthene]-9,9'(2H,2'H)-dione, 4,4'-bis(acetyloxy)-4,4',4a,4'a-tetrahydro-1,1',8,8'-tetrahydroxy-4a,4'a-bis(hydroxymethyl)-3,3'-dimethyl-, (3R,3'R,4R,4'R,4aR,4a'R)- [ACD/Index Name]
Diacétate de (5R,5'R,6R,6'R,10aR,10a'R)-1,1',8,8'-tétrahydroxy-10a,10a'-bis(hydroxyméthyl)-6,6'-diméthyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-4,4'-bixanthène-5,5'-diyle [French] [ACD/IUPAC Name]
deacetylphomoxanthone C

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

Density: 1.6±0.1 g/cm3
Boiling Point: 905.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.9±3.0 kJ/mol
Flash Point: 289.0±27.8 °C
Index of Refraction: 1.706
Molar Refractivity: 160.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 21.76
ACD/KOC (pH 5.5): 113.21
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 92.2±5.0 dyne/cm
Molar Volume: 412.8±5.0 cm3

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