ChemSpider 2D Image | (1xi)-1-(7-Amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribitol | C10H16N5O13P3

(1ξ)-1-(7-Amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribitol

  • Molecular FormulaC10H16N5O13P3
  • Average mass507.181 Da
  • Monoisotopic mass506.995758 Da
  • ChemSpider ID109037
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(1ξ)-1-(7-Amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribitol [ACD/IUPAC Name]
(1ξ)-1-(7-Amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribitol [German] [ACD/IUPAC Name]
(1ξ)-1-(7-Amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribitol [French] [ACD/IUPAC Name]
D-Ribitol, 1-C-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-, (1ξ)- [ACD/Index Name]
16409-13-5 [RN]
24652-48-0 [RN]
75349-71-2 [RN]
87625-62-5 [RN]
D-Ribitol, 1-C-(7-amino-1H-pyrazolo(4,3-d)pyrimidin-3-yl)-1,4-anhydro-, 5-(tetrahydrogen triphosphate), (1S)-
Formycin 5'-triphosphate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

24652-48-0,75349-71-2,16409-13-5 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.744
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.81
ACD/LogD (pH 5.5): -11.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 319 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 155.7±3.0 dyne/cm
Molar Volume: 234.9±3.0 cm3

Click to predict properties on the Chemicalize site






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