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Search term: 156260 (Found by CSID)
ChemSpider 2D Image | Aurasperone C | C31H28O12

Aurasperone C

  • Molecular FormulaC31H28O12
  • Average mass592.547 Da
  • Monoisotopic mass592.158081 Da
  • ChemSpider ID156260

More details:

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

[7,10'-Bi-2H-naphtho[2,3-b]pyran]-4,4'(3H,3'H)-dione, 2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl- [ACD/Index Name]
2,2',5,5',8-Pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-7,10'-bibenzo[g]chromen-4,4'-dion [German] [ACD/IUPAC Name]
2,2',5,5',8-Pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-7,10'-bibenzo[g]chromene-4,4'-dione [ACD/IUPAC Name]
2,2',5,5',8-Pentahydroxy-6,6',8'-triméthoxy-2,2'-diméthyl-2,2',3,3'-tétrahydro-4H,4'H-7,10'-bibenzo[g]chromène-4,4'-dione [French] [ACD/IUPAC Name]
41689-66-1 [RN]
Aurasperone C
2,2',3,3'-Tetrahydro-2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-7,10'-bi-4H-naphtho[2,3-b]pyran-4,4'-dione, 9CI
2,2',5,5',8-pentahydroxy-6,6',8'-trimethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione
2,5-dihydroxy-6,8-dimethoxy-2-methyl-10-{2,5,8-trihydroxy-6-methoxy-2-methyl-4-oxo-2H,3H,4H-naphtho[2,3-b]pyran-7-yl}-2H,3H,4H-naphtho[2,3-b]pyran-4-one
2,5-dihydroxy-6,8-dimethoxy-2-methyl-10-{2,5,8-trihydroxy-6-methoxy-2-methyl-4-oxo-3H-naphtho[2,3-b]pyran-7-yl}-3H-naphtho[2,3-b]pyran-4-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

R0NL28355M [DBID]
UNII:R0NL28355M [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 866.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 285.3±27.8 °C
Index of Refraction: 1.711
Molar Refractivity: 152.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 89.18
ACD/KOC (pH 5.5): 663.56
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.33
Polar Surface Area: 181 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 73.4±3.0 dyne/cm
Molar Volume: 389.8±3.0 cm3

Click to predict properties on the Chemicalize site


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