Atpenin A 5
Properties
- Molecular formula
- C15H21Cl2NO5
- Molar mass
- 366.24 g/mol
- Exact mass
- 365.0797 Da
- Melting point
- 83–85 °C
- logP
- 3.20Crippen estimate
- Polar surface area
- 88.9 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 8
- Stereocentres
- S, S, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
119509-24-9SMILES
COc1nc(O)c(C(=O)[C@@H](C)C[C@H](C)[C@@H](Cl)CCl)c(O)c1OCInChIKey
OVULNOOPECCZRG-CIUDSAMLSA-NInChI
InChI=1S/C15H21Cl2NO5/c1-7(9(17)6-16)5-8(2)11(19)10-12(20)13(22-3)15(23-4)18-14(10)21/h7-9H,5-6H2,1-4H3,(H2,18,20,21)/t7-,8-,9-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2(1H)-Pyridinone, 3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy-
- 2(1H)-Pyridinone, 3-(5,6-dichloro-2,4-dimethyl-1-oxohexyl)-4-hydroxy-5,6-dimethoxy-, [2S-(2R*,4R*,5S*)]-
- 3-[(2S,4S,5R)-5,6-Dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy-2(1H)-pyridinone
- FO 125A5
- Antibiotic FO 125A5
Work with Atpenin A 5
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds