3-chloro-N-{[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl}-4-fluorobenzamide
AlkaPlorer ID: AK467661
Synonym: None
IUPAC Name: 3-chloro-N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-4-fluorobenzamide
Structure
SMILES: CC1CCN(C(=O)C[C@@H]2O[C@H](CNC(=O)C3=CC=C(F)C(Cl)=C3)[C@@H](O)[C@H]2O)CC1
InChI: InChI=1S/C20H26ClFN2O5/c1-11-4-6-24(7-5-11)17(25)9-15-18(26)19(27)16(29-15)10-23-20(28)12-2-3-14(22)13(21)8-12/h2-3,8,11,15-16,18-19,26-27H,4-7,9-10H2,1H3,(H,23,28)/t15-,16+,18-,19+/m0/s1
InChIKey: NKLHSABQDFSKQT-OGWHTMIXSA-N
Reference
5,6:8,9-Diepoxy and Other Cytotoxic Sterols from the Marine Sponge <i>Homaxinella</i> sp.
PubChem CID: 40781562
SuperNatural Ⅲ: SN0247998-02
Source
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Properties Information
Molecule Weight: 428.88800000000015
TPSA？: 99.1
MolLogP？: 1.3466999999999991
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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