ChemSpider 2D Image | 4-Amino-1-{5-O-[({[(2-amino-4-oxo-7-sulfanyl-6-thioxo-1,3,4,6,7,8,9a,10-octahydro-2H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone | C19H26N8O13P2S2

4-Amino-1-{5-O-[({[(2-amino-4-oxo-7-sulfanyl-6-thioxo-1,3,4,6,7,8,9a,10-octahydro-2H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone

  • Molecular FormulaC19H26N8O13P2S2
  • Average mass700.533 Da
  • Monoisotopic mass700.053589 Da
  • ChemSpider ID7822418

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[[[[(2-amino-1,3,4,6,7,8,9a,10-octahydro-7-mercapto-4-oxo-6-thioxo-2H-pyrano[3,2-g]pteridin-8-yl)methoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]pentofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[({[(2-amino-4-oxo-7-sulfanyl-6-thioxo-1,3,4,6,7,8,9a,10-octahydro-2H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[({[(2-amino-4-oxo-7-sulfanyl-6-thioxo-1,3,4,6,7,8,9a,10-octahydro-2H-pyrano[3,2-g]pteridin-8-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[({[(2-amino-4-oxo-7-sulfanyl-6-thioxo-1,3,4,6,7,8,9a,10-octahydro-2H-pyrano[3,2-g]ptéridin-8-yl)méthoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.966
Molar Refractivity: 142.5±0.5 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -5.74
ACD/LogD (pH 5.5): -9.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 402 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 140.5±7.0 dyne/cm
Molar Volume: 291.8±7.0 cm3

Click to predict properties on the Chemicalize site


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