ChemSpider 2D Image | Methyl 3-(5-{(E)-[8-(3-methoxy-3-oxopropyl)-3,9-dimethyl-2-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4,5-dihydrodipyrrolo[1,2-a:2',3'-d]azepin-7(1H)-ylidene]methyl}-3-methyl -2-oxo-2H-pyrrol-4-yl)propanoate | C35H38N4O6

Methyl 3-(5-{(E)-[8-(3-methoxy-3-oxopropyl)-3,9-dimethyl-2-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4,5-dihydrodipyrrolo[1,2-a:2',3'-d]azepin-7(1H)-ylidene]methyl}-3-methyl -2-oxo-2H-pyrrol-4-yl)propanoate

  • Molecular FormulaC35H38N4O6
  • Average mass610.699 Da
  • Monoisotopic mass610.279114 Da
  • ChemSpider ID4952703

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(5-{(E)-[8-(3-Méthoxy-3-oxopropyl)-3,9-diméthyl-2-[(Z)-(4-méthyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidène)méthyl]-4,5-dihydrodipyrrolo[1,2-a:2',3'-d]azépin-7(1H)-ylidène]méthyl}-3-méthyl-2-oxo- 2H-pyrrol-4-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Dipyrrolo[1,2-a:2',3'-d]azepine-8-propanoic acid, 2-[(Z)-(3-ethenyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-1,4,5,7-tetrahydro-7-[[4-(3-methoxy-3-oxopropyl)-3-methyl-2-oxo-2H-pyrrol-5-y l]methylene]-3,9-dimethyl-, methyl ester, (7E)- [ACD/Index Name]
Methyl 3-(5-{(E)-[8-(3-methoxy-3-oxopropyl)-3,9-dimethyl-2-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4,5-dihydrodipyrrolo[1,2-a:2',3'-d]azepin-7(1H)-ylidene]methyl}-3-methyl -2-oxo-2H-pyrrol-4-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(5-{(E)-[8-(3-methoxy-3-oxopropyl)-3,9-dimethyl-2-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-yliden)methyl]-4,5-dihydrodipyrrolo[1,2-a:2',3'-d]azepin-7(1H)-yliden]methyl}-3-methyl-2 -oxo-2H-pyrrol-4-yl)propanoat [German] [ACD/IUPAC Name]
117032-45-8 [RN]
Dipyrrolo(1,2-a:2',3'-d)azepine-8-propanoic acid, 7-((1,5-dihydro-3-(3-methoxy-3-oxopropyl)-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl)-2-((3-ethenyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl)-4,5-dihydro-3,9-dimethyl-, methyl ester, (Z,Z)-
Methyl (Z,Z)-7-((1,5-dihydro-3-(3-methoxy-3-oxopropyl)-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl)-2-((3-ethenyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl)-4,5-dihydro-3,9-dimethyldipyrrolo(1,2-a:2',3'-d)azepine-8-propanoate
Neobiliverdin IX δ dimethyl ester
Neobiliverdine ixdelta dimethyl ester
Nixdde

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 169.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 271.72
ACD/KOC (pH 5.5): 1914.89
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 275.66
ACD/KOC (pH 7.4): 1942.68
Polar Surface Area: 130 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 473.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement