Basic information
- CAS
892-49-9- Standard SMILES
OC[C@H]1O[C@@H](n2cnc3c(=S)cc[nH]c32)[C@@H](O)[C@@H]1O- InChIKey
OJUVLZDWUQUPBF-YZLKNSBCSA-N- Molecular formula
- C11H13N3O4S
- Average molar mass
- 283.31 g/mol
- Monoisotopic mass
- 283.06267708
Names & identifiers
- Preferred name
- 3-beta-D-Arabinofuranosyl-3,4-dihydro-7H-imidazo[4,5-b]pyridine-7-thione
- IUPAC
- 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-imidazo[4,5-b]pyridine-7-thione
- English name
- 6-Mercaptopurine arabinoside
- Molecular formula
- C10H12N4O4S
- Molecular weight
- 284.29168
Names & synonyms
3-beta-D-Arabinofuranosyl-3,4-dihydro-7H-imidazo[4,5-b]pyridine-7-thioneAra-mpAra-6mpNSC-406021beta-ara-6-mp6Mp-arabinosidearabinosyl-6-mercaptopurine6-Mercaptopurine arabinosidearabinofuranosyl-6-mercaptopurine.beta.-D-Arabinosyl-6-mercaptopurine6-Thio-9-(β-D-arabinofuranosyl)purine
Database identifiers
- CAS
892-49-9- PubChem CID
- 165367682
- DTXSID
DTXSID20859496
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 714.7 · 714.7±70.0 °C(Predicted)
- Density
- 2.02 · 2.02±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 8.4 · 8.40±0.20(Predicted)
- FDA UNII
- 532 QJ0GH4 · O532QJ0GH4
Chemistry & industry
Suppliers4 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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