ChemSpider 2D Image | 26-Amino-1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-
oic acid 3,5-dioxide | C30H52N9O19P3S

26-Amino-1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27- oic acid 3,5-dioxide

  • Molecular FormulaC30H52N9O19P3S
  • Average mass967.769 Da
  • Monoisotopic mass967.231323 Da
  • ChemSpider ID3675754

More details:






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

26-Amino-1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27- oic acid 3,5-dioxide [ACD/IUPAC Name]
26-Amino-1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27- säure-3,5-dioxid [German] [ACD/IUPAC Name]
Acide 3,5-dioxyde de 26-amino-1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]-3,5,9-trihydroxy-8,8,19-triméthyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-di phosphaheptacosan-27-oïque [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 206.5±0.5 cm3
#H bond acceptors: 28
#H bond donors: 14
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -5.50
ACD/LogD (pH 5.5): -11.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 494 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 91.6±7.0 dyne/cm
Molar Volume: 533.1±7.0 cm3

Click to predict properties on the Chemicalize site





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