ChemSpider 2D Image | (3R,4S,6R)-5-Amino-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate | C15H25N3O14P2

(3R,4S,6R)-5-Amino-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate

  • Molecular FormulaC15H25N3O14P2
  • Average mass533.318 Da
  • Monoisotopic mass533.081177 Da
  • ChemSpider ID8318835
  • defined stereocentres - 5 of 8 defined stereocentres


More details:






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

(3R,4S,6R)-5-Amino-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate [ACD/IUPAC Name]
(3R,4S,6R)-5-Amino-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl-[(2R,3S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (3R,4S,6R)-5-amino-3,4-dihydroxy-6-méthyltétrahydro-2H-pyran-2-yle et de [(2R,3S)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-furanyl]méthyle (non-prefe rred name) [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.57
ACD/LogD (pH 5.5): -8.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 98.9±5.0 dyne/cm
Molar Volume: 297.4±5.0 cm3

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