Basic information
- CAS
66892-06-6- Standard SMILES
CCCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)C(C)(O/C=C\C(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)/C=C/C=C(/C)C(=O)N1)O4- InChIKey
BIVHDXHZFSGRDJ-WBIXYVTBSA-N- Molecular formula
- C41H53N3O11S
- Average molar mass
- 795.9 g/mol
- Monoisotopic mass
- 795.34008069
Names & identifiers
- Preferred name
- [(9Z,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-28-(propylamino)-8,33-dioxa-27-thia-24,29-diazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate
- IUPAC
- [(9Z,19E,21Z)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-28-(propylamino)-8,33-dioxa-27-thia-24,29-diazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),28-nonaen-13-yl] acetate
Names & synonyms
NSC29512366892-06-6NSC-295123R-198
Database identifiers
- CAS
66892-06-6- PubChem CID
- 5477145
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…