Cas no 55267-52-2 (L-Homocysteine,S-[1-(6-amino-9H-purin-9-yl)-1,5-dideoxy-b-D-arabinofuranos-5-yl]- (9CI))

L-Homocysteine,S-[1-(6-amino-9H-purin-9-yl)-1,5-dideoxy-b-D-arabinofuranos-5-yl]- (9CI) structure
55267-52-2 structure
Product Name:L-Homocysteine,S-[1-(6-amino-9H-purin-9-yl)-1,5-dideoxy-b-D-arabinofuranos-5-yl]- (9CI)
CAS No:55267-52-2
MF:C14H20N6O5S
MW:384.410800933838
CID:372674
PubChem ID:189149
Update Time:2025-04-19

L-Homocysteine,S-[1-(6-amino-9H-purin-9-yl)-1,5-dideoxy-b-D-arabinofuranos-5-yl]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Homocysteine,S-[1-(6-amino-9H-purin-9-yl)-1,5-dideoxy-b-D-arabinofuranos-5-yl]- (9CI)
    • ara-A-homocysteine
    • 9H-Purin-6-amine, 9-(5-S-(3-amino-3-carboxypropyl)-5-thio-beta-D-arabinofuranosyl)-, (S)-
    • (2S)-2-amino-4-[[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
    • Ara-ahcy
    • 55267-52-2
    • S-(5-(9-Arabinofuranosyladenyl))-L-homocysteine
    • 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
    • InChI Key: ZJUKTBDSGOFHSH-HSOHWKKZSA-N
    • SMILES: S(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 384.12158893g/mol
  • Monoisotopic Mass: 384.12158893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 7
  • Complexity: 504
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.5
  • Topological Polar Surface Area: 208?2
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