9-[3-Deoxy-3-(methylamino)pentofuranosyl]-n,n-dimethyl-9h-purin-6-amine
Basic information
- CAS
34522-43-5- Standard SMILES
CNC1C(CO)OC(n2cnc3c(N(C)C)ncnc32)C1O- InChIKey
DVXGTBWBYFEERZ-UHFFFAOYSA-N- Molecular formula
- C13H20N6O3
- Average molar mass
- 308.34 g/mol
- Monoisotopic mass
- 308.15968852
Names & identifiers
- Preferred name
- 9-[3-Deoxy-3-(methylamino)pentofuranosyl]-n,n-dimethyl-9h-purin-6-amine
- IUPAC
- 2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)-4-(methylamino)oxolan-3-ol
- English name
- 3'-Deoxy-N,N-dimethyl-3'-(methylamino)adenosine
- Molecular formula
- C13H20N6O3
- Molecular weight
- 308.34
Names & synonyms
34522-43-59-[3-deoxy-3-(methylamino)pentofuranosyl]-n,n-dimethyl-9h-purin-6-amineNSC1320993'-Deoxy-N,N-dimethyl-3'-(methylamino)adenosineDTXSID90956047NSC-132099
Database identifiers
- CAS
34522-43-5- PubChem CID
- 280457
- DTXSID
DTXSID90956047
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 588.919 · 588.919±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.579 · 1.579±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.35 · 13.350±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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