ChemSpider 2D Image | 3-[(5Z)-5-{[3-(2-Carboxyethyl)-2-hydroxy-3a,6,10-trimethyl-1,3a,11,12-tetrahydropyrrolo[2'',3'':4',5']cyclohepta[1',2':4,5]pyrrolo[1,2-a]pyrrolo[2,3-d]azepin-9-yl]methylene}-4-methyl-2-oxo-2,5-dihydro -1H-pyrrol-3-yl]propanoic acid | C33H34N4O6

3-[(5Z)-5-{[3-(2-Carboxyethyl)-2-hydroxy-3a,6,10-trimethyl-1,3a,11,12-tetrahydropyrrolo[2'',3'':4',5']cyclohepta[1',2':4,5]pyrrolo[1,2-a]pyrrolo[2,3-d]azepin-9-yl]methylene}-4-methyl-2-oxo-2,5-dihydro -1H-pyrrol-3-yl]propanoic acid

  • Molecular FormulaC33H34N4O6
  • Average mass582.646 Da
  • Monoisotopic mass582.247864 Da
  • ChemSpider ID64882373

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(5Z)-5-{[3-(2-Carboxyethyl)-2-hydroxy-3a,6,10-trimethyl-1,3a,11,12-tetrahydropyrrolo[2'',3'':4',5']cyclohepta[1',2':4,5]pyrrolo[1,2-a]pyrrolo[2,3-d]azepin-9-yl]methylen}-4-methyl-2-oxo-2,5-dihydro- 1H-pyrrol-3-yl]propansäure [German] [ACD/IUPAC Name]
3-[(5Z)-5-{[3-(2-Carboxyethyl)-2-hydroxy-3a,6,10-trimethyl-1,3a,11,12-tetrahydropyrrolo[2'',3'':4',5']cyclohepta[1',2':4,5]pyrrolo[1,2-a]pyrrolo[2,3-d]azepin-9-yl]methylene}-4-methyl-2-oxo-2,5-dihydro -1H-pyrrol-3-yl]propanoic acid [ACD/IUPAC Name]
Acide 3-[(5Z)-5-{[3-(2-carboxyéthyl)-2-hydroxy-3a,6,10-triméthyl-1,3a,11,12-tétrahydropyrrolo[2'',3'':4',5']cyclohepta[1',2':4,5]pyrrolo[1,2-a]pyrrolo[2,3-d]azépin-9-yl]méthylène}-4-méthyl-2-oxo-2,5-d ihydro-1H-pyrrol-3-yl]propanoïque [French] [ACD/IUPAC Name]
Pyrrolo[2'',3'':4',5']cyclohepta[1',2':4,5]pyrrolo[1,2-a]pyrrolo[2,3-d]azepine-3-propanoic acid, 9-[(Z)-[4-(2-carboxyethyl)-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene]methyl]-1,3a,11,12-tetrahydro -2-hydroxy-3a,6,10-trimethyl- [ACD/Index Name]
3-[(5Z)-5-[[7-(2-carboxyethyl)-6-hydroxy-8,12,18-trimethyl-1,5,16-triazapentacyclo[11.8.0.02,11.04,8.015,19]henicosa-2,4,6,9,11,13,15(19),17-octaen-17-yl]methylidene]-4-methyl-2-oxopyrrol-3-yl]propanoic acid
39290-30-7 [RN]
Sarpedobilin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 954.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.5±3.0 kJ/mol
Flash Point: 530.9±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 157.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.06
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 153 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 402.2±7.0 cm3

Click to predict properties on the Chemicalize site


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