Basic information
- CAS
5201-11-6- Standard SMILES
C=CCOC12Oc3ccc(OCc4ccccc4F)cc3C3C(CCCCO)C(CCCCO)C=C(C(=NOCC)CC1N(CCC)C(=O)OCCCCCCCCCCCC)C32- InChIKey
CEAGJJBGKZHPEV-UHFFFAOYSA-N- Molecular formula
- C52H77FN2O8
- Average molar mass
- 877.2 g/mol
- Monoisotopic mass
- 876.56639558
Names & identifiers
- Preferred name
- Agn-PC-0loztc
- IUPAC
- dodecyl N-[12-ethoxyimino-4-[(2-fluorophenyl)methoxy]-15,16-bis(4-hydroxybutyl)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-propylcarbamate
Names & synonyms
5201-11-6AGN-PC-0LOZTCDTXSID90412395Dodecyl {4-(ethoxyimino)-10-[(2-fluorophenyl)methoxy]-1,2-bis(4-hydroxybutyl)-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}(propyl)carbamate
Database identifiers
- CAS
5201-11-6- PubChem CID
- 5239014
- DTXSID
DTXSID90412395
Properties
Computed structural properties
- XLogP
- 12.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 31
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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