Found 2 results

Search term: MF = 'C_{45}H_{32}O_{4}'
ChemSpider 2D Image | 4-[(12-Methyl-2,3,4a,8,9,12,12a,15f-octahydro-1H-1,15-ethenodibenzo[3',4':5',6']azuleno[7',8',1',2':5,6,7]acephenanthryleno[8,9,10,1,2-mnoabc]aceanthrylen-9-yl)methoxy]-4-oxobutanoic acid | C45H32O4

4-[(12-Methyl-2,3,4a,8,9,12,12a,15f-octahydro-1H-1,15-ethenodibenzo[3',4':5',6']azuleno[7',8',1',2':5,6,7]acephenanthryleno[8,9,10,1,2-mnoabc]aceanthrylen-9-yl)methoxy]-4-oxobutanoic acid

  • Molecular FormulaC45H32O4
  • Average mass636.733 Da
  • Monoisotopic mass636.230042 Da
  • ChemSpider ID411253

More details:

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

4-[(12-Methyl-2,3,4a,8,9,12,12a,15f-octahydro-1H-1,15-ethenodibenzo[3',4':5',6']azuleno[7',8',1',2':5,6,7]acephenanthryleno[8,9,10,1,2-mnoabc]aceanthrylen-9-yl)methoxy]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(12-Methyl-2,3,4a,8,9,12,12a,15f-octahydro-1H-1,15-ethenodibenzo[3',4':5',6']azuleno[7',8',1',2':5,6,7]acephenanthryleno[8,9,10,1,2-mnoabc]aceanthrylen-9-yl)methoxy]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[(12-méthyl-2,3,4a,8,9,12,12a,15f-octahydro-1H-1,15-éthénodibenzo[3',4':5',6']azuléno[7',8',1',2':5,6,7]acéphénanthryléno[8,9,10,1,2-mnoabc]acéanthrylén-9-yl)méthoxy]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(2,3,4a,8,9,12,12a,15f-octahydro-12-methyl-1,15-etheno-1H-dibenz[3',4':5',6']azuleno[7',8',1',2':5,6,7]acephenanthryleno[8,9,10,1,2-mnoabc]aceanthrylen-9-yl)methyl] ester [ACD/Index Name]

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

AIDS057877 [DBID]
AIDS-057877 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.888
Molar Refractivity: 190.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.45
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 64 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 88.1±5.0 dyne/cm
Molar Volume: 414.1±5.0 cm3

Click to predict properties on the Chemicalize site


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