chempirical

5′-Methylthioadenosine

C11H15N5O3SCAS 2457-80-9297.33 g/mol

Open in Covalent MOL file
SONNNH2NNOHHO
AlcoholEtherPrimary amineSulfide

Properties

Molecular formula
C11H15N5O3S
Molar mass
297.33 g/mol
Exact mass
297.0896 Da
Melting point
205 °C
logP
-0.61Crippen estimate
Polar surface area
119.3 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
3
Stereocentres
S, R, R, Sin SMILES atom order

Identifiers

CAS number
2457-80-9
SMILES
CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIKey
WUUGFSXJNOTRMR-IOSLPCCCSA-N
InChI
InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Adenosine, 5′-S-methyl-5′-thio-
  • 5′-S-Methyl-5′-thioadenosine
  • 5′-(Methylthio)-5′-deoxyadenosine
  • 5′-(Methylthio)adenosine
  • β-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-
  • 5′-Deoxy-5′-(methylthio)adenosine
  • 5′-S-Methylthioadenosine
  • Vitamin L2
  • 5′-Deoxy(methylthio)adenosine
  • NSC 335422
  • 5-Deoxy-5-methylthioadenosine

Work with 5′-Methylthioadenosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Vidarabine5536-17-472 % similar Adenosine58-61-772 % similar 5′-Chloro-5′-deoxyadenosine892-48-871 % similar 5′-Deoxyadenosine4754-39-665 % similar S-Adenosyl-L-homocysteine979-92-063 % similar 3′-O-Methyladenosine10300-22-863 % similar Vidarabine phosphate29984-33-662 % similar Adenosine monophosphate61-19-862 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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