3'-(2-Butylamino)-3'-deoxyadenosine
Basic information
- CAS
134934-85-3- Standard SMILES
CCC(C)N[C@H]1[C@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO- InChIKey
CQIQQMZNBWTRTR-FANCQLLMSA-N- Molecular formula
- C14H22N6O3
- Average molar mass
- 322.36 g/mol
- Monoisotopic mass
- 322.17533859
Names & identifiers
- Preferred name
- 3'-(2-Butylamino)-3'-deoxyadenosine
- IUPAC
- (2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-(butan-2-ylamino)-5-(hydroxymethyl)oxolan-3-ol
Names & synonyms
3'(2BuNH)dA3'-(2-Butylamino)-3'-deoxyadenosine134934-85-39H-Purin-6-amine, 9-(3-deoxy-3-((1-methylpropyl)amino)-beta-D-arabinofuranosyl)-DTXSID109288279-{3-[(Butan-2-yl)amino]-3-deoxypentofuranosyl}-9H-purin-6-amine9-{3-[(Butan-2-yl)amino]-3-deoxy-beta-D-arabinofuranosyl}-9H-purin-6-amine9H-Purin-6-amine, 9-[3-deoxy-3-[(1-methylpropyl)amino]-.beta.-D-arabinofuranosyl]-(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-(sec-butylamino)tetrahydrofuran-3-ol
Database identifiers
- CAS
134934-85-3- PubChem CID
- 452771
- DTXSID
DTXSID10928827- Nikkaji
- J363.916I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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