2-[6-(Dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
7770-17-4- Standard SMILES
CN(C)c1ncnc2c1ncn2C1OC(CO)C(O)C1O- InChIKey
WVGPGNPCZPYCLK-QRKAXHLRSA-N- Molecular formula
- C12H17N5O4
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.12805404
Overview
See also: N6-Dimethyladenosine (annotation moved to).
Names & identifiers
- Preferred name
- 2-[6-(Dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- 2-(6-dimethylaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- Molecular formula
- C12H17N5O4
- Molecular weight
- 295.29
Names & synonyms
7770-17-49H-Purin-6-amine, 9-b-D-arabinofuranosyl-N,N-dimethyl-NSC627046SMR000140748Adenosine, N,N-dimethyl-2-[6-(dimethylamino)-9H-purin-9-yl]-5-(hydroxymethyl)tetrahydro-3,4-furandiol (non-preferred name)ARA DMAP2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolMLS000533310MLS001049138CHEMBL42529SCHEMBL20579764
Show more names
9H-Purin-6-amine, 9-β-D-arabinofuranosyl-N,N-dimethyl-2-(6-dimethylaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SCHEMBL29435131(2R,3S,4S,5R)-2-[6-(dimethylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolHMS1672G19HMS2160H11NSC407371NSC-407371NCGC00245765-01NCGC00245765-02
Database identifiers
- CAS
7770-17-4- PubChem CID
- 348206
- ChEMBL
CHEMBL42529
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 607.304 · 607.304±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.711 · 1.711±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.107 · 13.107±0.70(predicted)
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Compound notes
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