Basic information
- CAS
75283-06-6- Standard SMILES
CCOC(=O)C1OC(C2(C)OC3(OC4(C=CC3O)OC(C(C)C(=O)C(C)C(O)C(C)CC(C)c3c(Cl)cc(C)c(O)c3C(=O)O)C(C)CC4C)C(C)C2OC)CC1O- InChIKey
NZHCPUBOSWFGNA-UHFFFAOYSA-N- Molecular formula
- C43H63ClO14
- Average molar mass
- 839.4 g/mol
- Monoisotopic mass
- 838.3906344
Names & identifiers
- Preferred name
- Antibiotic X-14766A
- IUPAC
- 3-chloro-2-[8-[3-(5-ethoxycarbonyl-4-hydroxyoxolan-2-yl)-15-hydroxy-2-methoxy-1,3,10,12-tetramethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6-hydroxy-5-methylbenzoic acid
Names & synonyms
Antibiotic X-14766ANSC35923975283-06-6Noboritomycin A, monosodium saltNeuro_000197CHEMBL1968637SCHEMBL11379022NSC-359239STREPTOMYCES MALACHITOFUSCUS (X-14766A)X-14766A (STREPTOMYCES MALACHITOFUSCUS)
Database identifiers
- CAS
75283-06-6- PubChem CID
- 434840
- ChEMBL
CHEMBL1968637
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 14
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…