ChemSpider 2D Image | {5-[6-Amino-4-(3-hydroxy-2-decenoyl)-4,8-dihydro-9H-purin-9-yl]-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl}methyl 3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)buty l dihydrogen diphosphate | C31H54N7O18P3S

{5-[6-Amino-4-(3-hydroxy-2-decenoyl)-4,8-dihydro-9H-purin-9-yl]-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl}methyl 3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)buty l dihydrogen diphosphate

  • Molecular FormulaC31H54N7O18P3S
  • Average mass937.783 Da
  • Monoisotopic mass937.245911 Da
  • ChemSpider ID28717476

More details:

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

{5-[6-Amino-4-(3-hydroxy-2-decenoyl)-4,8-dihydro-9H-purin-9-yl]-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl}methyl 3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)buty l dihydrogen diphosphate [ACD/IUPAC Name]
{5-[6-Amino-4-(3-hydroxy-2-decenoyl)-4,8-dihydro-9H-purin-9-yl]-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl}methyl-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)buty ldihydrogendiphosphat [German] [ACD/IUPAC Name]
4H-Purin-6-amine, 8,9-dihydro-9-[5-O-[hydroxy[[hydroxy[3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]phosphinyl]-3-O-phosphonopentofuranosyl]-4-(3 -hydroxy-1-oxo-2-decen-1-yl)- [ACD/Index Name]
Dihydrogénodiphosphate de {5-[6-amino-4-(3-hydroxy-2-decenoyl)-4,8-dihydro-9H-purin-9-yl]-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl}méthyle et de 3-hydroxy-2,2-diméthyl-4-oxo-4-({3-oxo-3-[(2-sulf anyléthyl)amino]propyl}amino)butyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.669
Molar Refractivity: 205.3±0.5 cm3
#H bond acceptors: 25
#H bond donors: 11
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 3
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -6.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 449 Å2
Polarizability: 81.4±0.5 10-24cm3
Surface Tension: 80.8±7.0 dyne/cm
Molar Volume: 550.1±7.0 cm3

Click to predict properties on the Chemicalize site


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