ChemSpider 2D Image | [(2R,3S,4R,5R)-4-Amino-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphospha te | C15H25N3O16P2

[(2R,3S,4R,5R)-4-Amino-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphospha te

  • Molecular FormulaC15H25N3O16P2
  • Average mass565.317 Da
  • Monoisotopic mass565.070984 Da
  • ChemSpider ID17348169

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-4-Amino-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphospha te [ACD/IUPAC Name]
[(2R,3S,4R,5R)-4-Amino-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl-(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-4-amino-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-4-amino-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-furanyl]méthyle et de (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2 H-pyran-2-yle [French] [ACD/IUPAC Name]
diphosphoric acid 1-α-D-glucopyranosyl ester 2-((2''-deoxy-2''-amino)uridin-5''-yl) ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL262578/

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: 1.671
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.73
ACD/LogD (pH 5.5): -8.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 317 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 120.9±5.0 dyne/cm
Molar Volume: 292.4±5.0 cm3

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