ChemSpider 2D Image | 3-(5-{[4-(1,2-Dihydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-2-[2-{[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl}-5-(methoxycarbonyl)-3-methyl-4-oxo-1,4,5,6-tetrahydro cyclopenta[b]pyrrol-6-yl]-4-methyl-1H-pyrrol-3-yl)propanoic acid | C35H42N4O10

3-(5-{[4-(1,2-Dihydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-2-[2-{[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl}-5-(methoxycarbonyl)-3-methyl-4-oxo-1,4,5,6-tetrahydro cyclopenta[b]pyrrol-6-yl]-4-methyl-1H-pyrrol-3-yl)propanoic acid

  • Molecular FormulaC35H42N4O10
  • Average mass678.729 Da
  • Monoisotopic mass678.290100 Da
  • ChemSpider ID35014711

More details:

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

3-(5-{[4-(1,2-Dihydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-2-[2-{[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl}-5-(methoxycarbonyl)-3-methyl-4-oxo-1,4,5,6-tetrahydro cyclopenta[b]pyrrol-6-yl]-4-methyl-1H-pyrrol-3-yl)propanoic acid [ACD/IUPAC Name]
3-(5-{[4-(1,2-Dihydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-2-[2-{[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl}-5-(methoxycarbonyl)-3-methyl-4-oxo-1,4,5,6-tetrahydro cyclopenta[b]pyrrol-6-yl]-4-methyl-1H-pyrrol-3-yl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(5-{[4-(1,2-dihydroxyéthyl)-3-méthyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]méthyl}-2-[2-{[5-formyl-3-(2-hydroxyéthyl)-4-méthyl-1H-pyrrol-2-yl]méthyl}-5-(méthoxycarbonyl)-3-méthyl-4-oxo-1,4,5,6-tétr ahydrocyclopenta[b]pyrrol-6-yl]-4-méthyl-1H-pyrrol-3-yl)propanoïque [French] [ACD/IUPAC Name]
Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[[4-(1,2-dihydroxyethyl)-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-(2-hydroxyethyl)-4-me thyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, 5-methyl ester [ACD/Index Name]
3-(5-{[4-(1,2-dihydroxyethyl)-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl}-2-(2-{[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl}-5-(methoxycarbonyl)-3-methyl-4-oxo-1H,5H,6H-cyclopenta[b]pyrrol-6-yl)-4-methyl-1H-pyrrol-3-yl)propanoic acid
Hv-NCC-1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 983.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.1±3.0 kJ/mol
Flash Point: 548.5±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 176.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.58
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 476.0±3.0 cm3

Click to predict properties on the Chemicalize site


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