ChemSpider 2D Image | (3R,4S,6R)-5-Amino-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferr ed name) | C16H27N3O14P2

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

  • Molecular FormulaC16H27N3O14P2
  • Average mass547.345 Da
  • Monoisotopic mass547.096802 Da
  • ChemSpider ID8406341

  • 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)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferr ed name) [ACD/IUPAC Name]
(3R,4S,6R)-5-Amino-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl-[(2R,3S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyldihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (3R,4S,6R)-5-amino-3,4-dihydroxy-6-méthyltétrahydro-2H-pyran-2-yle et de [(2R,3S)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthyle ( non-preferred name) [French] [ACD/IUPAC Name]

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: 1.625
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.98
ACD/LogD (pH 5.5): -8.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 93.5±5.0 dyne/cm
Molar Volume: 313.3±5.0 cm3

Click to predict properties on the Chemicalize site


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