chempirical

S-Adenosyl-L-homocysteine

C14H20N6O5SCAS 979-92-0384.41 g/mol

Open in Covalent MOL file
H2NNNNNOSNH2OOHOHHO
AlcoholCarboxylic acidEtherPrimary amineSulfide

Properties

Molecular formula
C14H20N6O5S
Molar mass
384.41 g/mol
Exact mass
384.1216 Da
Melting point
209–211 °C
logP
-1.44Crippen estimate
Polar surface area
182.6 Ų
H-bond donors / acceptors
5 / 10
Rotatable bonds
7
Stereocentres
R, S, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
979-92-0
SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
InChIKey
ZJUKTBDSGOFHSH-WFMPWKQPSA-N
InChI
InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • L-Homocysteine, S-(5′-deoxyadenosin-5′-yl)-
  • Adenosine, 5′-S-(3-amino-3-carboxypropyl)-5′-thio-, L-
  • Homocysteine, S-adenosyl-, L-
  • S-(5′-Deoxyadenosin-5′-yl)-L-homocysteine
  • Adenosylhomocysteine
  • S-Adenosylhomocysteine
  • Adenosyl-L-homocysteine
  • L-S-Adenosylhomocysteine
  • S-(5′-Adenosyl)-L-homocysteine
  • SAH
  • SAH (S-Adenosylhomocysteine)

Work with S-Adenosyl-L-homocysteine

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

5′-Methylthioadenosine2457-80-963 % similar Vidarabine5536-17-459 % similar Adenosine58-61-759 % similar 5′-Chloro-5′-deoxyadenosine892-48-858 % similar S-Adenosyl methionine29908-03-057 % similar Vidarabine phosphate29984-33-654 % similar Adenosine monophosphate61-19-854 % similar Adenosine 5'-monophosphate monohydrate18422-05-452 % similar

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

Same formula

Abacavir sulfate188062-50-2

Elsewhere

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