Basic information
- CAS
66053-00-7- Standard SMILES
CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
UVPUQURXWFIUCH-FYXBRNTMSA-N- Molecular formula
- C31H40N7O10P
- Average molar mass
- 701.7 g/mol
- Monoisotopic mass
- 701.2574275
Names & identifiers
- Preferred name
- Vincamine adenylate
- IUPAC
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
Names & synonyms
66053-00-7Vincamine adenylateDTXSID70984525Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl ester, (3alpha,14beta,16alpha)-, mono-5'-adenylate (salt)Methyl 14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate--9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine (1/1)Methyl 14beta-hydroxy-3alpha,16alpha-14,15-dihydroeburnamenine-14alpha-carboxylate--5'-adenylic acid (1/1)
Database identifiers
- CAS
66053-00-7- PubChem CID
- 3085339
- DTXSID
DTXSID70984525
Properties
Computed structural properties
- Topological polar surface area
- 241 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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