ChemSpider 2D Image | (2R,3R,4S,5R,6R)-4-Formamido-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate
 (non-preferred name) | C17H27N3O15P2

(2R,3R,4S,5R,6R)-4-Formamido-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred name)

  • Molecular FormulaC17H27N3O15P2
  • Average mass575.355 Da
  • Monoisotopic mass575.091736 Da
  • ChemSpider ID35035931
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(2r,3r,4s,5r,6r)-4-(Formylamino)-3,5-Dihydroxy-6-Methyltetrahydro-2h-Pyran-2-Yl [(2r,3s,5r)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)tetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate (Non-Preferred Name)
(2R,3R,4S,5R,6R)-4-Formamido-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S,5R,6R)-4-Formamido-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyldihydrogendiphosphat (n on-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2R,3R,4S,5R,6R)-4-formamido-3,5-dihydroxy-6-méthyltétrahydro-2H-pyran-2-yle et de [(2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-fura nyl]méthyle (non-preferred name) [French] [ACD/IUPAC Name]
FNF

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 115.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.25
ACD/LogD (pH 5.5): -9.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 280 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 91.5±5.0 dyne/cm
Molar Volume: 330.3±5.0 cm3

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