Basic information
- CAS
149564-05-6- Standard SMILES
Nc1nccc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O- InChIKey
RUCFKJGLNUIODR-MRTMQBJTSA-N- Molecular formula
- C11H14N4O2
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.1116757
Overview
inhibitor of S-adenosylhomocysteine hydrolase; structure given in first source
Names & identifiers
- Preferred name
- 9-(2',3'-Dihydroxypentan-1'-yl)-3-deazaadenine
- IUPAC
- (1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)cyclopentane-1,2-diol
- English name
- 9-(2',3'-dihydroxypentan-1'-yl)-3-deazaadenine
- Molecular formula
- C11H14N4O2
- Molecular weight
- 234.25
Names & synonyms
3-Deaza-dhcaa149564-05-69-(2',3'-Dihydroxypentan-1'-yl)-3-deazaadenineRefChem:107612c^3DHCaA(1r,2s,3r)-3-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)cyclopentane-1,2-diolSCHEMBL1935952DTXSID90933676RUCFKJGLNUIODR-MRTMQBJTSA-N(1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)cyclopentane-1,2-diol(1R,2S,3R)-3-(4-Imino-4,5-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)cyclopentane-1,2-diol3-(4-Imino-4,5-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)cyclopentane-1,2-diol
Show more names
3-C-Dihydroxycyclopentyladenine1-[(1R)-2α,3α-Dihydroxycyclopentan-1β-yl]-1H-imidazo[4,5-c]pyridin-4-amine(1R,2S,3R)-3-[4-Amino-1H-imidazo[4,5-c]pyridine-1-yl]-1,2-cyclopentanediol1,2-Cyclopentanediol, 3-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-, (1R,2S,3R)-
1,2-Cyclopentaediol, 3-(4-amino-1H-imidazo(4,5-c)pyridin-1-yl)-, (1R-(1alpha,2alpha,3beta))-1,2-Cyclopentanediol, 3-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-,[1R-(1.alpha.,2.alpha.,3.beta.)]-
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 528.7 · 528.7±60.0 °C(Predicted)
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- pka
- 14.22 · 14.22±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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