Found 2 results

Search term: XPAOKCSHUNYPBS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 9-[2-Deoxy-5-O-(hydroxy{[(2R,3R,5S)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]oxy}phosphoryl)-beta-L-erythro-pentofuranosyl]-9H-purin-6-amine | C20H26N7O10P

9-[2-Deoxy-5-O-(hydroxy{[(2R,3R,5S)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC20H26N7O10P
  • Average mass555.435 Da
  • Monoisotopic mass555.147888 Da
  • ChemSpider ID68024097

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

9-[2-Deoxy-5-O-(hydroxy{[(2R,3R,5S)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[2-Desoxy-5-O-(hydroxy{[(2R,3R,5S)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[2-Désoxy-5-O-(hydroxy{[(2R,3R,5S)-3-(hydroxyméthyl)-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]oxy}phosphoryl)-β-L-érythro-pentofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[2-deoxy-5-O-[[[(2R,3R,5S)-5-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)tetrahydro-3-(hydroxymethyl)-2-furanyl]oxy]hydroxyphosphinyl]-β-L-erythro-pentofuranosyl]- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.824
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.96
ACD/LogD (pH 5.5): -6.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 101.8±7.0 dyne/cm
Molar Volume: 277.8±7.0 cm3

Click to predict properties on the Chemicalize site


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