ChemSpider 2D Image | CMP-pseudaminic acid | C22H34N5O15P

CMP-pseudaminic acid

  • Molecular FormulaC22H34N5O15P
  • Average mass639.504 Da
  • Monoisotopic mass639.178894 Da
  • ChemSpider ID26606416
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2R,4S,5S,6S)-5-Acetamido-6-[(1S,2S)-1-acetamido-2-hydroxypropyl]-2-{[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-4-hydroxyte trahydro-2H-pyran-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,4S,5S,6S)-5-Acetamido-6-[(1S,2S)-1-acetamido-2-hydroxypropyl]-2-{[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-4-hydroxyte trahydro-2H-pyran-2-carboxylic acid [ACD/IUPAC Name]
Acide (2R,4S,5S,6S)-5-acétamido-6-[(1S,2S)-1-acétamido-2-hydroxypropyl]-2-{[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}-4-hyd roxytétrahydro-2H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
CMP-pseudaminic acid
cytidine 5'-[(5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-α-L-manno-non-2-ulopyranosonyl) hydrogen phosphate]

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

CHEBI:63778 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 133.1±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.18
ACD/LogD (pH 5.5): -8.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 319 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 87.5±7.0 dyne/cm
Molar Volume: 341.3±7.0 cm3

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