2-Amino-6-mercapto-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine
Basic information
- CAS
132194-26-4- Standard SMILES
Nc1nc(=S)c2ncn([C@H]3CC[C@@H](CO)O3)c2[nH]1- InChIKey
VPWVDNUKBIMKBG-NTSWFWBYSA-N- Molecular formula
- C10H13N5O2S
- Average molar mass
- 267.31 g/mol
- Monoisotopic mass
- 267.07899585
Names & identifiers
- Preferred name
- 2-Amino-6-mercapto-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purine
- IUPAC
- 2-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
Names & synonyms
2-Amino-6-mercapto-ddP2-NH2-6-SH-ddP132194-26-42-Amino-6-mercapto-9-(2,3-dideoxy-beta-D-glycero-pentofuranosyl)-9H-purineDTXSID10157418RefChem:255828DTXCID70799096-thiodeoxydeoxyguanosineCHEMBL309825SCHEMBL96646792',3'-Dideoxy-6-thioGuanosine[(2S,5R)-5-(2-amino-6-sulfanyl-purin-9-yl)tetrahydrofuran-2-yl]methanol
Show more names
2-Amino-6-mercapto-9-(2,3-dideoxy-.beta.-D-glycero-pentofuranosyl)-9H-purine2-Amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3,9-dihydro-6H-purine-6-thione
Database identifiers
- CAS
132194-26-4- PubChem CID
- 3000302
- DTXSID
DTXSID10157418- ChEMBL
CHEMBL309825- Nikkaji
- J409.856K
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 390
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Compound notes
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