ara-A-homocysteine
Basic information
- CAS
55267-52-2- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@@H]1O- InChIKey
ZJUKTBDSGOFHSH-HSOHWKKZSA-N- Molecular formula
- C14H20N6O5S
- Average molar mass
- 384.41 g/mol
- Monoisotopic mass
- 384.12158893
Names & identifiers
- Preferred name
- ara-A-homocysteine
- IUPAC
- (2S)-2-amino-4-[[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
- English name
- ara-A-homocysteine
- Molecular formula
- C14H20N6O5S
- Molecular weight
- 384.41
Names & synonyms
Ara-ahcyAra-A-homocysteine9H-Purin-6-amine, 9-(5-S-(3-amino-3-carboxypropyl)-5-thio-beta-D-arabinofuranosyl)-, (S)-S-(5-(9-Arabinofuranosyladenyl))-L-homocysteineRefChem:11364055267-52-2(2S)-2-amino-4-[[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acidL-Homocysteine, S-[1-(6-amino-9H-purin-9-yl)-1,5-dideoxy-β-D-arabinofuranos-5-yl]-
Database identifiers
- CAS
55267-52-2- PubChem CID
- 189149
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Boiling point
- 787.5 · 787.5±70.0 °C(Predicted)
- Density
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- pka
- 2.22 · 2.22±0.10(Predicted)
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Related reactions
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Compound notes
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