ChemSpider 2D Image | 2,2',3,3'-Tetrahydroxy-9a,9a'-dimethoxy-6,6'-dimethyl-2H,2'H,4H,4'H-1a,1a'-bi[1]benzoxireno[3,4-g]isochromene-4,4',9,9'(9aH,9a'H)-tetrone | C30H22O14

2,2',3,3'-Tetrahydroxy-9a,9a'-dimethoxy-6,6'-dimethyl-2H,2'H,4H,4'H-1a,1a'-bi[1]benzoxireno[3,4-g]isochromene-4,4',9,9'(9aH,9a'H)-tetrone

  • Molecular FormulaC30H22O14
  • Average mass606.487 Da
  • Monoisotopic mass606.100952 Da
  • ChemSpider ID4587826

More details:

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

[1a,1'a(4H,4'H)-Bi-2H-oxireno[6,7]naphtho[2,3-c]pyran]-4,4',9,9'(9aH,9a'H)-tetrone, 2,2',3,3'-tetrahydroxy-9a,9'a-dimethoxy-6,6'-dimethyl- [ACD/Index Name]
2,2',3,3'-Tetrahydroxy-9a,9a'-dimethoxy-6,6'-dimethyl-2H,2'H,4H,4'H-1a,1a'-bi[1]benzoxireno[3,4-g]isochromen-4,4',9,9'(9aH,9a'H)-tetron [German] [ACD/IUPAC Name]
2,2',3,3'-Tetrahydroxy-9a,9a'-dimethoxy-6,6'-dimethyl-2H,2'H,4H,4'H-1a,1a'-bi[1]benzoxireno[3,4-g]isochromene-4,4',9,9'(9aH,9a'H)-tetrone [ACD/IUPAC Name]
2,2',3,3'-Tétrahydroxy-9a,9a'-diméthoxy-6,6'-diméthyl-2H,2'H,4H,4'H-1a,1a'-bi[1]benzoxiréno[3,4-g]isochromène-4,4',9,9'(9aH,9a'H)-tétrone [French] [ACD/IUPAC Name]
Xanthoepocin

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

AIDS106099 [DBID]
AIDS-106099 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 874.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.2±3.0 kJ/mol
Flash Point: 292.6±27.8 °C
Index of Refraction: 1.791
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 18999.19
ACD/KOC (pH 5.5): 34602.03
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 55.86
ACD/KOC (pH 7.4): 101.73
Polar Surface Area: 211 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 112.6±5.0 dyne/cm
Molar Volume: 327.6±5.0 cm3

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