Basic information
- CAS
55611-38-6- Standard SMILES
C=CCN(c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CCCCC1- InChIKey
JZKMIPDOAWBAHE-NVQRDWNXSA-N- Molecular formula
- C19H27N5O4
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.20630434
Names & identifiers
- Preferred name
- N(6)-allyl-N(6)-cyclohexyladenosine
- IUPAC
- (2R,3R,4S,5R)-2-[6-[cyclohexyl(prop-2-enyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- N(6)-allyl-N(6)-cyclohexyladenosine
- Molecular formula
- C19H27N5O4
- Molecular weight
- 389.45
Names & synonyms
ACHA55611-38-6N(6)-Allyl-N(6)-cyclohexyladenosineRefChem:160759(2R,3R,4S,5R)-2-(6-(Allyl(cyclohexyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol(2R,3R,4S,5R)-2-{6-[cyclohexyl(prop-2-en-1-yl)amino]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diolSCHEMBL9826408n6-cyclohexyl-n6-allyladenosineSCHEMBL29376957DTXSID00970951JZKMIPDOAWBAHE-NVQRDWNXSA-NAdenosine, N-cyclohexyl-N-2-propenyl-
Show more names
BM-11189N-Cyclohexyl-N-(2-propenyl)adenosineAdenosine, N-cyclohexyl-N-2-propenyl- (9CI)
N(6)-allyl-N(6)-cyclohexyl-adenosineN-Cyclohexyl-N-(prop-2-en-1-yl)adenosineN-Cyclohexyl-9-pentofuranosyl-N-(prop-2-en-1-yl)-9H-purin-6-amine
Database identifiers
- CAS
55611-38-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Boiling point
- 659.2 · 659.2±65.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 13.13 · 13.13±0.70(Predicted)
Related reactions
1 records
Compound notes
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