Basic information
- CAS
78566-17-3- Standard SMILES
Cc1c2oc3c(C)c(OC(=O)C45CC6CC(CC(C6)C4)C5)cc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O- InChIKey
OICLHHUVKVCFLM-UHFFFAOYSA-N- Molecular formula
- C73H100N12O18
- Average molar mass
- 1,433.6 g/mol
- Monoisotopic mass
- 1,432.72785439
Names & identifiers
- Preferred name
- 7-(1'-Adamantoyloxy)actinomycin D
- IUPAC
- [8-amino-4,6-dimethyl-7-oxo-1,9-bis[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]phenoxazin-3-yl] adamantane-1-carboxylate
Names & synonyms
7-(1'-Adamantoyloxy)actinomycin D78566-17-3Actinomycin D, 7-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)oxy)-7-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)oxy)actinomycin D
Database identifiers
- CAS
78566-17-3- PubChem CID
- 64508
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 382 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 11
- Heavy atoms
- 103
- Formal charge
- 0
- Complexity
- 3,540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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