9-(2',3'-Dihydroxycyclopentan-1'-yl)adenine
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Basic information
- CAS
125409-63-4- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O- InChIKey
CZASVOKHBMDKGF-JKMUOGBPSA-N- Molecular formula
- C10H13N5O2
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.10692467
Overview
inhibitor of S-adenosylhomocysteine hydrolase; structure given in first source
Names & identifiers
- Preferred name
- 9-(2',3'-Dihydroxycyclopentan-1'-yl)adenine
- IUPAC
- (1R,2S,3R)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol
- English name
- 9-(2',3'-dihydroxycyclopentan-1'-yl)adenine
- Molecular formula
- C10H13N5O2
- Molecular weight
- 235.24
Names & synonyms
125409-63-4DHCaA9-(2',3'-Dihydroxycyclopentan-1'-yl)adenineRefChem:914688(1R,2S,3R)-3-(6-amino-9H-purin-9-yl)cyclopentane-1,2-diol(1R,2S,3R)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol129706-34-9CHEMBL3014991,2-Cyclopentanediol, 3-(6-amino-9H-purin-9-yl)-, (1R,2S,3R)-SCHEMBL2421602SCHEMBL294301679-[(1'R,2'S,3'R)-2',3'-dihydroxycyclopentanyl]adenine
Show more names
DTXSID00925128CZASVOKHBMDKGF-JKMUOGBPSA-NBDBM50006218EBC-08023MFCD00912164PD1213833-(6-Amino-purin-9-yl)-cyclopentane-1,2-diolEN300-1588055
Database identifiers
- CAS
125409-63-4、129706-34-9- PubChem CID
- 73651
- DTXSID
DTXSID00925128- ChEMBL
CHEMBL301499- Nikkaji
- J412.166J
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 535.264 · 535.264±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.892 · 1.892±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.088 · 14.088±0.60(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
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