ChemSpider 2D Image | Aurasperone B | C32H30O12

Aurasperone B

  • Molecular FormulaC32H30O12
  • Average mass606.573 Da
  • Monoisotopic mass606.173706 Da
  • ChemSpider ID156261

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'-tetrahydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl- [ACD/Index Name]
2,2',5,5'-Tetrahydroxy-6,6',8,8'-tetramethoxy-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'-Tetrahydroxy-6,6',8,8'-tetramethoxy-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'-Tétrahydroxy-6,6',8,8'-tétraméthoxy-2,2'-diméthyl-2,2',3,3'-tétrahydro-4H,4'H-7,10'-bibenzo[g]chromène-4,4'-dione [French] [ACD/IUPAC Name]
41689-67-2 [RN]
Aurasperone B
10-{2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-2H,3H,4H-naphtho[2,3-b]pyran-7-yl}-2,5-dihydroxy-6,8-dimethoxy-2-methyl-2H,3H,4H-naphtho[2,3-b]pyran-4-one
10-{2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-naphtho[2,3-b]pyran-7-yl}-2,5-dihydroxy-6,8-dimethoxy-2-methyl-3H-naphtho[2,3-b]pyran-4-one
2,2',5,5'-tetrahydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-2,2',3,3'-tetrahydro-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-4,4'-dione
7-{2,5-DIHYDROXY-6,8-DIMETHOXY-2-METHYL-4-OXO-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-10-YL}-2,5-DIHYDROXY-6,8-DIMETHOXY-2-METHYL-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-4-ONE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C0NK50O4Q6 [DBID]
UNII:C0NK50O4Q6 [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: 831.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 270.7±27.8 °C
Index of Refraction: 1.681
Molar Refractivity: 157.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 114.01
ACD/KOC (pH 5.5): 784.23
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 170 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 415.4±3.0 cm3

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