ChemSpider 2D Image | mono(glucosyluronic acid)bilirubin(2-) | C39H42N4O12

mono(glucosyluronic acid)bilirubin(2-)

  • Molecular FormulaC39H42N4O12
  • Average mass758.771 Da
  • Monoisotopic mass758.281006 Da
  • ChemSpider ID26330905

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

mono(glucosyluronic acid)bilirubin(2-)
1-O-{3-[8-(carboxylatoethyl)-2,17-diethenyl-2,7,13,18-tetramethyl-1,19-dioxo-21,24-dihydrobila-4,15-dien-12-yl]propanoyl}-β-D-glucopyranuronate
bilirubin-glucuronoside
mono(glucosyluronic acid)bilirubin dianion

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

CHEBI:57767 [DBID]
  • Miscellaneous

    • Chemical Class:

      A dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of mono(glucosyluronic acid)bilirubin; major species at pH 7.3. ChEBI CHEBI:57767

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

Density:
Boiling Point: 1076.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.4±3.0 kJ/mol
Flash Point: 605.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability:
Surface Tension:
Molar Volume:

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