Found 1 result

Search term: YWWJKULNWGRYAS-UOVSKDHASA-L (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,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 atato (non-preferred name) | C17H24N3O15P

(2R,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 atato (non-preferred name)

  • Molecular FormulaC17H24N3O15P
  • Average mass541.358 Da
  • Monoisotopic mass541.095581 Da
  • ChemSpider ID58145459

  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,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 (non-preferred name) [German] [ACD/IUPAC Name]
(2R,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 atato (non-preferred name) [ACD/IUPAC Name]
(2R,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 (non-preferred name) [French] [ACD/IUPAC Name]
CMP-3-deoxy-β-D-manno-octulosonate
CMP-3-deoxy-β-D-manno-octulosonate(2-)
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion arising from deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-beta-D-manno-octulosonic acid; major species at pH 7.3. ChEBI CHEBI:85987

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:

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