ChemSpider 2D Image | (2S,4R,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxytetrahydro-2H-pyran-2-carboxyl ate | C17H24N3O15P

(2S,4R,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxytetrahydro-2H-pyran-2-carboxyl ate

  • Molecular FormulaC17H24N3O15P
  • Average mass541.358 Da
  • Monoisotopic mass541.095581 Da
  • ChemSpider ID26331729

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,4R,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxytetrahydro-2H-pyran-2-carboxyl at [German] [ACD/IUPAC Name]
(2S,4R,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}phosphinato)oxy]-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxytetrahydro-2H-pyran-2-carboxyl ate [ACD/IUPAC Name]
(2S,4R,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}phosphinato)oxy]-6-[(1R)-1,2-dihydroxyéthyl]-4,5-dihydroxytétrahydro-2H-pyrane-2-carboxy late [French] [ACD/IUPAC Name]
CMP-&α;-Kdo
CMP-&β;-Kdo
CMP-2-dehydro-3-deoxy-D-octonate
CMP-3-deoxy-&β
CMP-3-deoxy-D-manno-octulosonate
CMP-3-deoxy-D-manno-octulosonate dianion
CMP-3-deoxy-D-manno-octulosonate(2-)
More...
  • Miscellaneous

    • Chemical Class:

      A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-alpha-D-manno-octulosonic acid. ChEBI CHEBI:59825

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

Density:
Boiling Point: 951.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.1±6.0 kJ/mol
Flash Point: 529.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.29
ACD/LogD (pH 5.5): -8.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 307 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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