ChemSpider 2D Image | (Sp)-8-bromo-cAMPS | C10H11BrN5O5PS

(Sp)-8-bromo-cAMPS

  • Molecular FormulaC10H11BrN5O5PS
  • Average mass424.168 Da
  • Monoisotopic mass422.940186 Da
  • ChemSpider ID34999504

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,4aR,6R,7R,7aS) 2-Oxyde de 6-(6-amino-8-bromo-9H-purin-9-yl)-2-sulfanyltétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol [French] [ACD/IUPAC Name]
(2S,4aR,6R,7R,7aS)-6-(6-Amino-8-brom-9H-purin-9-yl)-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol-2-oxid [German] [ACD/IUPAC Name]
(2S,4aR,6R,7R,7aS)-6-(6-Amino-8-bromo-9H-purin-9-yl)-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide [ACD/IUPAC Name]
(Sp)-8-bromo-cAMPS
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-2-mercapto-, 2-oxide, (2S,4aR,6R,7R,7aS)- [ACD/Index Name]
(2S,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2λ(5)-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
(Sp)-8-bromoadenosine-3',5'-cyclic monophosphorothioate
127634-20-2 [RN]
8-bromo-Sp-cAMPS
Sp-8-Br-cAMPS
  • Miscellaneous

    • Chemical Class:

      A nucleoside 3',5'-cyclic phosphorothioate having 8-bromoadenine as the nucleobase (the <stereo>S</stereo>p-stereoisomer). ChEBI CHEBI:84619
      A nucleoside 3',5'-cyclic phosphorothioate having 8-bromoadenine as the nucleobase (the Sp-stereoisomer). ChEBI CHEBI:84619

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

Density: 2.7±0.1 g/cm3
Boiling Point: 690.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.3±34.3 °C
Index of Refraction: 2.050
Molar Refractivity: 81.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#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: 183 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 135.1±7.0 dyne/cm
Molar Volume: 157.0±7.0 cm3

Click to predict properties on the Chemicalize site


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