ChemSpider 2D Image | 2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-N,N-diethyl-N-methylethanaminium | C25H33N2O6

2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-N,N-diethyl-N-methylethanaminium

  • Molecular FormulaC25H33N2O6
  • Average mass457.539 Da
  • Monoisotopic mass457.233307 Da
  • ChemSpider ID28652854

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-yliden]ethyl}amino)-N,N-diethyl-N-methylethanaminium [German] [ACD/IUPAC Name]
2-({(1E)-1-[(9bR)-6-Acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}amino)-N,N-diethyl-N-methylethanaminium [ACD/IUPAC Name]
2-({(1E)-1-[(9bR)-6-Acétyl-7,9-dihydroxy-8,9b-diméthyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidène]éthyl}amino)-N,N-diéthyl-N-méthyléthanaminium [French] [ACD/IUPAC Name]
Ethanaminium, 2-[[(1E)-1-[(9bR)-6-acetyl-3,9b-dihydro-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-2(1H)-dibenzofuranylidene]ethyl]amino]-N,N-diethyl-N-methyl- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.97
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.77
Polar Surface Area: 113 Å2
Polarizability:
Surface Tension:
Molar Volume:

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