Basic information
- CAS
112318-09-9- Standard SMILES
Nc1ncnc2c1ncn2C1C=CC(O)C1O- InChIKey
RQPALADHFYHEHK-UHFFFAOYSA-N- Molecular formula
- C10H11N5O2
- Average molar mass
- 233.23 g/mol
- Monoisotopic mass
- 233.09127461
Overview
structure given in first source; S-adenosyl homocysteine hydrolase antagonist
Names & identifiers
- Preferred name
- 9-(2',3'-Dihydroxycyclopent-4'-enyl)adenine
- IUPAC
- 5-(6-aminopurin-9-yl)cyclopent-3-ene-1,2-diol
- English name
- 9-(2',3'-dihydroxycyclopent-4'-enyl)adenine
- Molecular formula
- C10H11N5O2
- Molecular weight
- 233.23
Names & synonyms
5'-Norneplanocin A112318-09-95'-DhcaDHCeA9-(2',3'-Dihydroxycyclopent-4'-enyl)adenineRefChem:107611TTDHC5-(6-aminopurin-9-yl)cyclopent-3-ene-1,2-diol5-(6-amino-9h-purin-9-yl)cyclopent-3-ene-1,2-diolSCHEMBL6306759-(2',trans-3'-Dihydroxycyclopent-4'-enyl)adenineDTXSID20920731
Show more names
3-Cyclopentene-1,2-diol, 5-(6-amino-9H-purin-9-yl)-, (1R,2S,5S)-rel-
3-Cyclopentene-1,2-diol,5-(6-amino-9H-purin-9-yl)-,(1R,2S,5S)-relPD0419063-Cyclopentene-1,2-diol, 5-(6-amino-9H-purinyl-9-yl)-, (1alpha,2alpha,5beta)-
Database identifiers
- CAS
112318-09-9- PubChem CID
- 1468
- DTXSID
DTXSID20920731
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 556.815 · 556.815±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.875 · 1.875±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.678 · 13.678±0.60(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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