N-Cycloheptyladenosine
Basic information
- CAS
41552-83-4- Standard SMILES
OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCCC4)ncnc32)[C@H](O)[C@@H]1O- InChIKey
LVRXGPGFWBAHOI-LSCFUAHRSA-N- Molecular formula
- C17H25N5O4
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.1906543
Names & identifiers
- Preferred name
- N-Cycloheptyladenosine
- IUPAC
- (2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- Adenosine, N-cycloheptyl-
- Molecular formula
- C17H25N5O4
- Molecular weight
- 363.41
Names & synonyms
41552-83-4N-CycloheptyladenosineRefChem:363689(2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolAdenosine, N-cycloheptyl-CHEMBL2113430(2R,3R,4S,5R)-2-(6-(Cycloheptylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol(2R,3R,4S,5R)-2-[6-(cycloheptylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-dioln6-cycloheptyladenosineDTXSID00332752BDBM50408666(2R,3R,4S,5R)-2-(6-Cycloheptylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Show more names
(2R,3R,4S,5R)-2-[6-(cycloheptylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Database identifiers
- CAS
41552-83-4- PubChem CID
- 463722
- DTXSID
DTXSID00332752- ChEMBL
CHEMBL2113430- Nikkaji
- J1.042.161F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Boiling point
- 678.3 · 678.3±65.0 °C(Predicted)
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- pka
- 13.12 · 13.12±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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