ChemSpider 2D Image | 5-[2-amino-6-[2-amino-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]disulfanyl-purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol | C20H24N10O6S2

5-[2-amino-6-[2-amino-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]disulfanyl-purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol

  • Molecular FormulaC20H24N10O6S2
  • Average mass564.598 Da
  • Monoisotopic mass564.132141 Da
  • ChemSpider ID241061

More details:

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

23521-00-8 [RN]
23521-01-9 [RN]
23592-65-6 [RN]
5-[2-amino-6-[2-amino-9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]disulfanyl-purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
9H-Purin-2-amine, 6,6'-dithiobis[9-(2-deoxy-α-D-erythro-pentofuranosyl)-
9H-Purin-2-amine, 6,6'-dithiobis[9-(2-deoxy-β-D- erythro-pentofuranosyl)-
9H-PURIN-2-AMINE,6,6'-DITHIOBIS[9-(2-DEOXY-B-D-ERYTHRO-PENTOFURANOSYL)- (9CI)
9H-Purine, 6,6'-dithiobis[2-amino-9-(2-deoxy-α-D-erythro-pentofuranosyl)-

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

NSC119656 [DBID]
NSC121871 [DBID]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1089.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.5±3.0 kJ/mol
Flash Point: 612.7±37.1 °C
Index of Refraction: 2.031
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.79
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.79
Polar Surface Area: 289 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 124.0±7.0 dyne/cm
Molar Volume: 257.4±7.0 cm3

Click to predict properties on the Chemicalize site


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