ChemSpider 2D Image | Xanthoaphin | C30H26O10

Xanthoaphin

  • Molecular FormulaC30H26O10
  • Average mass546.521 Da
  • Monoisotopic mass546.152588 Da
  • ChemSpider ID388672

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-4a,7,11a,14-Tetrahydroxy-1,3,8,10-tetramethyl-1,3,3a,4a,5,8,10,10a,11a,12-decahydro-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronen-6,13-dion [German] [ACD/IUPAC Name]
(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-4a,7,11a,14-Tetrahydroxy-1,3,8,10-tetramethyl-1,3,3a,4a,5,8,10,10a,11a,12-decahydro-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronene-6,13-dione [ACD/IUPAC Name]
(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-4a,7,11a,14-Tétrahydroxy-1,3,8,10-tétraméthyl-1,3,3a,4a,5,8,10,10a,11a,12-décahydro-6H,13H-2,4,9,11-tétraoxadibenzo[bc,kl]coronène-6,13-dione [French] [ACD/IUPAC Name]
6H,13H-Pyrano[5'',4'',3'':1',8'][2]benzopyrano[3',4',5',6':5,10,4]anthra[1,9,8-cdef]pyrano[3,4,5-ij][2]benzopyran-6,13-dione, 1,3,3a,4a,5,8,10,10a,11a,12-decahydro-4a,7,11a,14-tetrahydroxy-1,3,8,10-te tramethyl-, (1R,3R,3aS,4aS,8R,10R,10aS,11aS)- [ACD/Index Name]
Xanthoaphin
1674-44-8 [RN]
6H,13H-2,4,9,11-Tetraoxadibenzo[bc,kl]coronene-6,13-dione,1,3,3a,4a,5,8,10,10a,11a,12-decahydro-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-,(1R,3R,3aS,4aS,8R,10R,10aS,11aS)-rel- (9CI)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

102020 [DBID]
C01863 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.802
Molar Refractivity: 139.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 3
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1813.06
ACD/KOC (pH 5.5): 7462.62
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1046.97
ACD/KOC (pH 7.4): 4309.36
Polar Surface Area: 152 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 90.7±3.0 dyne/cm
Molar Volume: 324.5±3.0 cm3

Click to predict properties on the Chemicalize site


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