ChemSpider 2D Image | 3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid | C33H36N4O6

3-[2-[[3-(2-carboxyethyl)-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid

  • Molecular FormulaC33H36N4O6
  • Average mass584.662 Da
  • Monoisotopic mass584.263489 Da
  • ChemSpider ID245

More details:

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

21H-Biline-8,12-dipropanoicacid,2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-,(4E)-
3-(2-((3-(2-Carboxyethyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-1H-pyrrol-2-yl)methyl)-4-methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1H-pyrrol-2(5H)-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid
3-[2-[[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-3H-pyrrol-2-yl]methyl]-5-[(4-ethenyl-3-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-3H-pyrrol-3-yl]propanoic ac
69853-43-6 [RN]
MFCD00005499 [MDL number]

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

DivK1c_006697 [DBID]
KBio1_001641 [DBID]
KBio2_001685 [DBID]
KBio2_004253 [DBID]
KBio2_006821 [DBID]
KBio3_001751 [DBID]
KBioGR_002030 [DBID]
KBioSS_001685 [DBID]
NSC26685 [DBID]
SPBio_000630 [DBID]
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 925.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.0±3.0 kJ/mol
Flash Point: 513.3±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 168.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.03
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 74.5±3.0 dyne/cm
Molar Volume: 425.4±3.0 cm3

Click to predict properties on the Chemicalize site


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