Cordycepin, adenosine, cordycepin
Basic information
- CAS
125207-77-4- Standard SMILES
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2C(O)C(COP(=O)(O)OC3CC(CO)OC3n3cnc4c(N)ncnc43)OC2n2cnc3c(N)ncnc32)CC1O- InChIKey
ISOCSPMOJFLOCU-UHFFFAOYSA-N- Molecular formula
- C30H37N15O14P2
- Average molar mass
- 893.7 g/mol
- Monoisotopic mass
- 893.21196491
Names & identifiers
- Preferred name
- Cordycepin, adenosine, cordycepin
- IUPAC
- [2-(6-aminopurin-9-yl)-5-[[[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate
Names & synonyms
Cordycepin, adenosine, cordycepin2',5'-Co-A-Co (Co = Cordycepin)125207-77-4Adenosine, 3'-deoxyadenylyl-(2'.5')-adenylyl-(2'.5')-3'-deoxy-
Database identifiers
- CAS
125207-77-4- PubChem CID
- 452852
Properties
Computed structural properties
- XLogP
- -5.6
- Topological polar surface area
- 409 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 26
- Rotatable bonds
- 14
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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