ChemSpider 2D Image | (Sp)-8-bromoguanosine-3',5'-cyclic monophosphorothioate | C10H11BrN5O6PS

(Sp)-8-bromoguanosine-3',5'-cyclic monophosphorothioate

  • Molecular FormulaC10H11BrN5O6PS
  • Average mass440.167 Da
  • Monoisotopic mass438.935089 Da
  • ChemSpider ID34999518

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(Sp)-8-bromoguanosine-3',5'-cyclic monophosphorothioate
(Sp)-8-Br-cGMPS
2-Amino-8-brom-9-[(2S,4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-8-bromo-9-[(2S,4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-8-bromo-9-[(2S,4aR,6R,7R,7aS)-7-hydroxy-2-oxydo-2-sulfanyltétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-8-bromo-1,9-dihydro-9-[(2S,4aR,6R,7R,7aS)-tetrahydro-7-hydroxy-2-mercapto-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]- [ACD/Index Name]
153660-03-8 [RN]
2-amino-8-bromo-9-[(2S,4aR,6R,7R,7aS)-7-hydroxy-2-oxo-2-sulfanyltetrahydro-2H,4H-2λ(5)-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one
8-bromo-Sp-cGMPS
SP-8-BR-CGMPS
  • Miscellaneous

    • Chemical Class:

      A nucleoside 3',5'-cyclic phosphorothioate having 8-bromoguanine as the nucleobase (the <stereo>S</stereo>p-stereoisomer). ChEBI CHEBI:84641
      A nucleoside 3',5'-cyclic phosphorothioate having 8-bromoguanine as the nucleobase (the Sp-stereoisomer). ChEBI CHEBI:84641

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

Density: 2.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.097
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 199 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 151.1±7.0 dyne/cm
Molar Volume: 154.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement