ChemSpider 2D Image | urobilinogen | C33H42N4O6

urobilinogen

  • Molecular FormulaC33H42N4O6
  • Average mass590.710 Da
  • Monoisotopic mass590.310425 Da
  • ChemSpider ID389649

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

urobilinogen [Wiki]
(4R,16R)-2-Ethenyl-17-ethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
17208-65-0 [RN]
D-Urobilinogen
14684-37-8 [RN]
21H-Biline-8,12-dipropanoicacid,2-ethenyl-17-ethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-,(4R,16R)-
3-(2-{[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid
3-[2-[[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-py
3-[2-[[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]
3-[2-[[3-(2-CARBOXYETHYL)-5-[(4-VINYL-3-METHYL-5-OXO-1,2-DIHYDROPYRROL-2-YL)METHYL]-4-METHYL-1H-PYRROL-2-YL]METHYL]-5-[(3-ETHYL-4-METHYL-5-OXO-1,2-DIHYDROPYRROL-2-YL)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C05791 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 881.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.2±3.0 kJ/mol
Flash Point: 486.8±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 164.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 12.00
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 463.1±3.0 cm3

Click to predict properties on the Chemicalize site


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