ChemSpider 2D Image | pseudaminic acid | C13H22N2O8

pseudaminic acid

  • Molecular FormulaC13H22N2O8
  • Average mass334.322 Da
  • Monoisotopic mass334.137604 Da
  • ChemSpider ID26333073

  • 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-ulopyranosonic acid [ACD/IUPAC Name]
(6S)-5-Acetamido-6-[(1S,2S)-1-acetamido-2-hydroxypropyl]-3,5-didesoxy-β-D-erythro-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (6S)-5-acétamido-6-[(1S,2S)-1-acétamido-2-hydroxypropyl]-3,5-didésoxy-β-D-érythro-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
L-glycero-α-L-manno-2-Nonulopyranosonic acid, 5,7-bis(acetylamino)-3,5,7,9-tetradeoxy- [ACD/Index Name]
pseudaminic acid
5,7-Bis(acetylamino)-3,5,7,9-tetradeoxy-L-glycero-α-L-manno-2-nonulopyranosonic acid
5,7-bis(acetylamino)-3,5,7,9-tetradeoxy-L-glycero-α-L-manno-non-2-ulopyranosonic acid
5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-α-L-manno-non-2-ulopyranosonic acid
PSE

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

CHEBI:63281 [DBID]
  • Miscellaneous

    • Chemical Class:

      A nine-membered ketoaldonic acid derivative that is 5,7-diacetamido-3,5,7,9-tetradeoxynon-2-ulopyranosonic acid having L-glycero-alpha-L-manno-configuration. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63281, CHEBI:63281
      A nine-membered ketoaldonic acid that is 5,7-diacetamido-3,5,7,9-tetradeoxynon-2-ulopyranosonic acid having <stereo>L</stereo>-<stereo>glycero</stereo>-<stereo>alpha</stereo>-<stereo>L</stereo>-<stere o>manno</stereo>-configuration. ChEBI CHEBI:63281

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

Density: 1.5±0.1 g/cm3
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: 1.571
Molar Refractivity: 75.6±0.4 cm3
#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: 165 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 230.2±5.0 cm3

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