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Substance Name: 8-Thio-benzyl cyclic amp
RN: 32487-38-0
InChIKey: XOQMHXSVDYQBOZ-XNIJJKJLSA-N

Molecular Weight

  • 451.398
 
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Names and Synonyms

Name of Substance

  • 8-Thio-benzyl cyclic amp

Synonyms

  • 8-Benzylthio-camp
  • 8-S-Benzyl cyclic amp

Systematic Name

  • 8-((Phenylmethyl)thio)adenosine, cyclic 3',5'-(hydrogen phosphate)

Registry Numbers

CAS Registry Number

  • 32487-38-0

System Generated Number

  • 0032487380

Structure Descriptors

InChI

1S/C17H18N5O6PS/c18-14-11-15(20-8-19-14)22(17(21-11)30-7-9-4-2-1-3-5-9)16-12(23)13-10(27-16)6-26-29(24,25)28-13/h1-5,8,10,12-13,16,23H,6-7H2,(H,24,25)(H2,18,19,20)/t10-,12-,13-,16-/m1/s1

InChIKey

XOQMHXSVDYQBOZ-XNIJJKJLSA-N

Smiles

n1(c(SCc2ccccc2)nc2c(N)ncnc12)[C@H]1[C@@H]([C@@H]2O[P@@](=O)(OC[C@@H]2O1)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.15E+00 (none)   EXP
Water Solubility 686 mg/L 25 EST
Vapor Pressure 6.06E-11 mm Hg 25 EST
Henry's Law Constant 6.88E-31 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.02E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.