ChemSpider 2D Image | [(2r,4s,6r)-4-Azanyl-4,6-Dimethyl-5,5-Bis(Oxidanyl)oxan-2-Yl] [[(2r,3s,5r)-5-[5-Methyl-2,4-Bis(Oxidanylidene)pyrimidin-1-Yl]-3-Oxidanyl-Oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl] Hydrogen Phosphate | C17H29N3O14P2

[(2r,4s,6r)-4-Azanyl-4,6-Dimethyl-5,5-Bis(Oxidanyl)oxan-2-Yl] [[(2r,3s,5r)-5-[5-Methyl-2,4-Bis(Oxidanylidene)pyrimidin-1-Yl]-3-Oxidanyl-Oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl] Hydrogen Phosphate

  • Molecular FormulaC17H29N3O14P2
  • Average mass561.371 Da
  • Monoisotopic mass561.112488 Da
  • ChemSpider ID35035703
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2R,4S,6R)-4-Amino-5,5-dihydroxy-4,6-dimethyltetrahydro-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,4S,6R)-4-Amino-5,5-dihydroxy-4,6-dimethyltetrahydro-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 (non-pre ferred name) [German] [ACD/IUPAC Name]
[(2r,4s,6r)-4-Azanyl-4,6-Dimethyl-5,5-Bis(Oxidanyl)oxan-2-Yl] [[(2r,3s,5r)-5-[5-Methyl-2,4-Bis(Oxidanylidene)pyrimidin-1-Yl]-3-Oxidanyl-Oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl] Hydrogen Phosphate
Dihydrogénodiphosphate de (2R,4S,6R)-4-amino-5,5-dihydroxy-4,6-diméthyltétrahydro-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-furanyl]mé thyle (non-preferred name) [French] [ACD/IUPAC Name]
AKM

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: 1.621
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.40
ACD/LogD (pH 5.5): -7.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 90.5±5.0 dyne/cm
Molar Volume: 328.4±5.0 cm3

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