ChemSpider 2D Image | (5R,5'R,6R,6'R,10aR,10a'R)-10a,10a'-Bis(acetoxymethyl)-1,1',9,9'-tetrahydroxy-6,6'-dimethyl-8,8'-dioxo-5,5',7,7',8,8',10a,10a'-octahydro-6H,6'H-2,4'-bixanthene-5,5'-diyl diacetate | C38H38O16

(5R,5'R,6R,6'R,10aR,10a'R)-10a,10a'-Bis(acetoxymethyl)-1,1',9,9'-tetrahydroxy-6,6'-dimethyl-8,8'-dioxo-5,5',7,7',8,8',10a,10a'-octahydro-6H,6'H-2,4'-bixanthene-5,5'-diyl diacetate

  • Molecular FormulaC38H38O16
  • Average mass750.699 Da
  • Monoisotopic mass750.216003 Da
  • ChemSpider ID8208579

  • 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)-10a,10a'-Bis(acetoxymethyl)-1,1',9,9'-tetrahydroxy-6,6'-dimethyl-8,8'-dioxo-5,5',7,7',8,8',10a,10a'-octahydro-6H,6'H-2,4'-bixanthen-5,5'-diyl-diacetat [German] [ACD/IUPAC Name]
(5R,5'R,6R,6'R,10aR,10a'R)-10a,10a'-Bis(acetoxymethyl)-1,1',9,9'-tetrahydroxy-6,6'-dimethyl-8,8'-dioxo-5,5',7,7',8,8',10a,10a'-octahydro-6H,6'H-2,4'-bixanthene-5,5'-diyl diacetate [ACD/IUPAC Name]
[5,7'-Bi-1H-xanthene]-1,1'-dione, 4,4'-bis(acetyloxy)-4a,4'a-bis[(acetyloxy)methyl]-2,2',3,3',4,4',4a,4'a-octahydro-8,8',9,9'-tetrahydroxy-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)-10a,10a'-bis(acétoxyméthyl)-1,1',9,9'-tétrahydroxy-6,6'-diméthyl-8,8'-dioxo-5,5',7,7',8,8',10a,10a'-octahydro-6H,6'H-2,4'-bixanthène-5,5'-diyle [French] [ACD/IUPAC Name]
Phomoxanthone B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 854.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 261.8±27.8 °C
Index of Refraction: 1.659
Molar Refractivity: 179.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 389.74
ACD/KOC (pH 5.5): 902.65
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 3.96
ACD/KOC (pH 7.4): 9.17
Polar Surface Area: 239 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 487.7±5.0 cm3

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