ChemSpider 2D Image | pseudaminate | C13H21N2O8

pseudaminate

  • Molecular FormulaC13H21N2O8
  • Average mass333.315 Da
  • Monoisotopic mass333.130341 Da
  • ChemSpider ID26333074

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6S)-5-Acetamido-6-[(1S,2S)-1-acetamido-2-hydroxypropyl]-3,5-dideoxy-β-D-erythro-hex-2-ulopyranosonate [ACD/IUPAC Name]
(6S)-5-Acetamido-6-[(1S,2S)-1-acetamido-2-hydroxypropyl]-3,5-didesoxy-β-D-erythro-hex-2-ulopyranosonat [German] [ACD/IUPAC Name]
(6S)-5-Acétamido-6-[(1S,2S)-1-acétamido-2-hydroxypropyl]-3,5-didésoxy-β-D-érythro-hex-2-ulopyranosonate [French] [ACD/IUPAC Name]
L-glycero-α-L-manno-2-Nonulopyranosonic acid, 5,7-bis(acetylamino)-3,5,7,9-tetradeoxy-, ion(1-) [ACD/Index Name]
pseudaminate
5,7-bis(acetylamino)-3,5,7,9-tetradeoxy-L-glycero-α-L-manno-non-2-ulopyranosonate
5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-α-L-manno-non-2-ulopyranosonate
pseudaminate anion
pseudaminate(1-)

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

CHEBI:63282 [DBID]
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion arising from deprotonation of the carboxy group of pseudaminic acid; major species at pH 7.3. ChEBI CHEBI:63282

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

Density:
Boiling Point: 798.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.2±6.0 kJ/mol
Flash Point: 436.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.75
ACD/LogD (pH 5.5): -5.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement