754-34-7 Purity
---
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula of 5-Hydroxymethyl flucloxacillin is C19H17ClFN3O6S.
The synonyms of 5-Hydroxymethyl flucloxacillin are 5-Hydroxymethylflucloxacillin and 75524-31-1.
The molecular weight of 5-Hydroxymethyl flucloxacillin is 469.9 g/mol.
The IUPAC name of 5-Hydroxymethyl flucloxacillin is (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
The InChI of 5-Hydroxymethyl flucloxacillin is InChI=1S/C19H17ClFN3O6S/c1-19(2)14(18(28)29)24-16(27)13(17(24)31-19)22-15(26)11-9(6-25)30-23-12(11)10-7(20)4-3-5-8(10)21/h3-5,13-14,17,25H,6H2,1-2H3,(H,22,26)(H,28,29)/t13-,14+,17-/m1/s1.
The InChIKey of 5-Hydroxymethyl flucloxacillin is ZUBWLMQDPXVIGD-JKIFEVAISA-N.
The canonical SMILES of 5-Hydroxymethyl flucloxacillin is CC1(C(N2C(S1)C(C2=O)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)CO)C(=O)O)C.
The isomeric SMILES of 5-Hydroxymethyl flucloxacillin is CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)CO)C(=O)O)C.
The CAS number of 5-Hydroxymethyl flucloxacillin is 75524-31-1.
5-Hydroxymethyl flucloxacillin has 3 hydrogen bond donor counts.