Found 51 results

Search term: MF = 'C_{27}H_{31}N_{3}O_{9}'
ChemSpider 2D Image | Ethyl 4-(N-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}glycyl)-1-piperazinecarboxylate | C27H31N3O9

Ethyl 4-(N-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}glycyl)-1-piperazinecarboxylate

  • Molecular FormulaC27H31N3O9
  • Average mass541.550 Da
  • Monoisotopic mass541.206055 Da
  • ChemSpider ID35145346

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[(1E)-1-[(9bR)-6-acetyl-3,9b-dihydro-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-2(1H)-dibenzofuranylidene]ethyl]amino]acetyl]-, ethyl ester [ACD/Index Name]
4-(N-{(1E)-1-[(9bR)-6-Acétyl-7,9-dihydroxy-8,9b-diméthyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidène]éthyl}glycyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(N-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene]ethyl}glycyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(N-{(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-yliden]ethyl}glycyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
(R,E)-ethyl 4-(2-((1-(6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-1,9b-dihydrodibenzo[b,d]furan-2(3H)-ylidene)ethyl)amino)acetyl)piperazine-1-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 802.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 439.4±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.04
ACD/KOC (pH 5.5): 899.77
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 31.24
ACD/KOC (pH 7.4): 295.79
Polar Surface Area: 163 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 371.3±5.0 cm3

Click to predict properties on the Chemicalize site


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