ChemSpider 2D Image | (4E)-4-[(6-Aminohexyl)imino]-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,4-dihydro-2(1H)-pyrimidinone | C15H29N4O13P3

(4E)-4-[(6-Aminohexyl)imino]-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,4-dihydro-2(1H)-pyrimidinone

  • Molecular FormulaC15H29N4O13P3
  • Average mass566.331 Da
  • Monoisotopic mass566.094421 Da
  • ChemSpider ID95638389

More details:

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

(4E)-4-[(6-Aminohexyl)imino]-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,4-dihydro-2(1H)-pyrimidinone [ACD/IUPAC Name]
(4E)-4-[(6-Aminohexyl)imino]-1-[2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,4-dihydro-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
(4E)-4-[(6-Aminohexyl)imino]-1-[2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,4-dihydro-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
2(1H)-Pyrimidinone, 4-[(6-aminohexyl)imino]-1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-3,4-dihydro-, (4E)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 112.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -4.82
ACD/LogD (pH 5.5): -9.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 105.1±7.0 dyne/cm
Molar Volume: 296.5±7.0 cm3

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