Found 1 result

Search term: LALPKSNISJVHII (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,3S,4R,5R)-4-Amino-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-(hydroxymethyl)tetrahydro-3-furanyl (2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro- 3-furanyl hydrogen phosphate (non-preferred name) | C19H25N8O12P

(2R,3S,4R,5R)-4-Amino-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-(hydroxymethyl)tetrahydro-3-furanyl (2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro- 3-furanyl hydrogen phosphate (non-preferred name)

  • Molecular FormulaC19H25N8O12P
  • Average mass588.422 Da
  • Monoisotopic mass588.132935 Da
  • ChemSpider ID62807802

  • defined stereocentres - 8 of 8 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)-2-(hydroxymethyl)tetrahydro-3-furanyl (2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro- 3-furanyl hydrogen phosphate (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4R,5R)-4-Amino-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-(hydroxymethyl)tetrahydro-3-furanyl-(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydro- 3-furanylhydrogenphosphat (non-preferred name) [German] [ACD/IUPAC Name]
Hydrogénophosphate de (2R,3S,4R,5R)-4-amino-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-(hydroxyméthyl)tétrahydro-3-furanyle et de (2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy -2-(hydroxyméthyl)tétrahydro-3-furanyle (non-preferred name) [French] [ACD/IUPAC Name]
847911-24-4 [RN]

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.927
Molar Refractivity: 120.6±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.20
ACD/LogD (pH 5.5): -6.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 305 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 138.0±7.0 dyne/cm
Molar Volume: 253.8±7.0 cm3

Click to predict properties on the Chemicalize site


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