Cordycepin, cordycepin, cordycepin
Basic information
- CAS
76885-99-9- Standard SMILES
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2CC(COP(=O)(O)OC3CC(CO)OC3n3cnc4c(N)ncnc43)OC2n2cnc3c(N)ncnc32)CC1O- InChIKey
CKZWLFLXOQDVEX-UHFFFAOYSA-N- Molecular formula
- C30H37N15O13P2
- Average molar mass
- 877.7 g/mol
- Monoisotopic mass
- 877.21705029
Names & identifiers
- Preferred name
- Cordycepin, cordycepin, cordycepin
- IUPAC
- [2-(6-aminopurin-9-yl)-5-[[[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate
Names & synonyms
Cordycepin, cordycepin, cordycepinCo-Co-Co (Co = Cordycepin)76885-99-9Adenosine, 3'-deoxyadenylyl-(2'.5')-3'-deoxyadenylyl-(2'.5')-3'-deoxy-NSC337765NSC 3377652',5'-OligocordycepinCordycepin,cordycepin,cordycepinNSC-337765
Database identifiers
- CAS
76885-99-9- PubChem CID
- 333787
Properties
Computed structural properties
- XLogP
- -4.6
- Topological polar surface area
- 389 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 14
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,590
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Compound notes
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