S-Tubercidinylhomocysteine
Basic information
- CAS
57344-98-6- Standard SMILES
Nc1ncnc2c1ccn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O- InChIKey
VIRPSVXGKGPXDV-NDXSAKOMSA-N- Molecular formula
- C15H21N5O5S
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.12633996
Overview
7-deaza analog of S-adenosylhomocysteine
Names & identifiers
- Preferred name
- S-Tubercidinylhomocysteine
- IUPAC
- (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
Names & synonyms
S-tubercidinylhomocysteine57344-98-6(S)-7-(5-S-(3-amino-3-carboxypropyl)-5-thio-beta-D-ribofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amineRefChem:180728CHEMBL552309(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acidorb3174337SCHEMBL27092932BDBM50294482NSC 278878
Database identifiers
- CAS
57344-98-6- PubChem CID
- 124349
- ChEMBL
CHEMBL552309
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 503
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Related reactions
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Compound notes
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