2-Amino-4-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid
Basic information
- CAS
76496-81-6- Standard SMILES
NC(CCSCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O- InChIKey
VBISEWDNMPKFJC-UHFFFAOYSA-N- Molecular formula
- C15H22N6O6S
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.13215362
Names & identifiers
- Preferred name
- 2-Amino-4-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid
- IUPAC
- 2-amino-4-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid
Names & synonyms
76496-81-62-amino-4-[[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acidNSC310813DTXSID90317098NSC-310813[(9-Pentofuranosyl-9H-purin-6-yl)amino]methionine
Database identifiers
- CAS
76496-81-6- PubChem CID
- 329281
- DTXSID
DTXSID90317098
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…