Basic information
- CAS
120503-34-6- Standard SMILES
OC[C@@H]1CC[C@H](n2cnc3c(Cl)ncnc32)O1- InChIKey
HYFBPEGMDSQUBT-NKWVEPMBSA-N- Molecular formula
- C10H11ClN4O2
- Average molar mass
- 254.67 g/mol
- Monoisotopic mass
- 254.0570533
Names & identifiers
- Preferred name
- 6-Chloro-9-(2,3-dideoxy-beta-D-glyceropentofuranosyl)-9H-purine
- IUPAC
- [(2S,5R)-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol
- English name
- (2S,5R)-5-(6-Chloro-9H-purine-9-yl)tetrahydro-2-furanmethanol
- Molecular formula
- C10H11ClN4O2
- Molecular weight
- 254.67
Names & synonyms
6-Chloro-ddPCPDDRD2ClPdd6CP120503-34-66Cl-ddP6-Chloro-9-(2,3-dideoxy-beta-D-glyceropentofuranosyl)-9H-purine(2S,5R)-5-(6-Chloro-9H-purine-9-yl)tetrahydro-2-furanmethanol[(2S,5R)-5-(6-chloropurin-9-yl)oxolan-2-yl]methanolCHEMBL308959SCHEMBL2035452DTXSID30152889
Show more names
6-Chloropurine 2',3'-dideoxyribosideβ-9-(2,3-dideoxyribofuranosyl)-6-chloropurine6-Chloro-9-(2,3-dideoxy-β-D-ribofuranosyl)-9H-purine2-Furanmethanol, 5-(6-chloro-9H-purin-9-yl)tetrahydro-, (2S,5R)-
[(2S,5R)-5-(6-chloro-9H-purin-9-yl)oxolan-2-yl]methanol[(2S,5R)-5-(6-chloropurin-9-yl)tetrahydrofuran-2-yl]methanol6-Chloro-9-(2,3-dideoxy-.beta.-D-glyceropentofuranosyl)-9H-purine
Database identifiers
- CAS
120503-34-6- PubChem CID
- 451502
- DTXSID
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
LogP0.24
Physicochemical properties
- Melting point
- 97 · 97-99 °C
- Boiling point
- 486 · 486.0±55.0 °C(Predicted)
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- pka
- 14.44 · 14.44±0.10(Predicted)
Chemistry & industry
Suppliers1 total
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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