ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl hy drogen (R)-phosphate | C18H24N5O13P

[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl hy drogen (R)-phosphate

  • Molecular FormulaC18H24N5O13P
  • Average mass549.383 Da
  • Monoisotopic mass549.110840 Da
  • ChemSpider ID88045

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl hy drogen (R)-phosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanylhyd rogen(R)-phosphat [German] [ACD/IUPAC Name]
Hydrogéno(R)-phosphate de [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydr oxyméthyl)tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
Cytidylyl-(5'.3')-uridine
Uridylyl-(3'-5')-cytidine

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

NSC 131649 [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.812
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.93
ACD/LogD (pH 5.5): -7.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 116.0±7.0 dyne/cm
Molar Volume: 257.5±7.0 cm3

Click to predict properties on the Chemicalize site


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