ChemSpider 2D Image | (-)-Stercobilinogen | C33H48N4O6

(-)-Stercobilinogen

  • Molecular FormulaC33H48N4O6
  • Average mass596.757 Da
  • Monoisotopic mass596.357361 Da
  • ChemSpider ID7827641
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(-)-Stercobilinogen
17095-63-5 [RN]
3-[2-[[3-(2-carboxyethyl)-5-[[(2S,3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[[(2S,3R,4R)-4-ethyl-3-methyl-5-oxo-pyrrolidin-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
L-Stercobilinogen
Stercobilinogen [Wiki]
(2R,3R,4S,16S,17R,18R)-10,23-dihydrostercobilin
(2R,3R,4S,16S,17R,18R)-10,23-dihydrostercobilin; (2R,3R,4S,16S,17R,18R)-2,17-diethyl-3,7,13,18-tetramethyl-1,19-dioxo-1,2,3,4,5,10,15,16,17,18,19,22,23,24-tetradecahydro-21H-biline-8,12-dipropanoic acid
(2R,3R,4S,16S,17R,18R)-2,17-diethyl-1,2,3,4,5,10,15,16,17,18,19,22,23,24-tetradecahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
(2R,3R,4S,16S,17R,18R)-2,17-diethyl-3,7,13,18-tetramethyl-1,19-dioxo-1,2,3,4,5,10,15,16,17,18,19,22,23,24-tetradecahydro-21H-biline-8,12-dipropanoic acid
21H-Biline-8,12-dipropanoicacid,2,17-diethyl-1,2,3,4,5,10,15,16,17,18,19,22,23,24-tetradecahydro-3,7,13,18-tetramethyl-1,19-dioxo-,(2R,3R,4S,16S,17R,18R)-

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

CHEBI:6320 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 843.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 464.1±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 163.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 16.58
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 501.3±3.0 cm3

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