A1MAF

(1~{a}~{S},7~{b}~{R})-5-fluoranyl-2-oxidanyl-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid

Created:2025-06-17
Last modified:  2025-10-08

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count2
Bond Count26
Aromatic Bond Count6
2D diagram of A1MAF

Chemical Component Summary

Name(1~{a}~{S},7~{b}~{R})-5-fluoranyl-2-oxidanyl-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
Synonyms(1R,2S)-Xeruborbactam disodium
Systematic Name (OpenEye OEToolkits)(1~{a}~{S},7~{b}~{R})-5-fluoranyl-2-oxidanyl-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
FormulaC10 H8 B F O4
Molecular Weight221.978
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OB1Oc2c(ccc(F)c2C(O)=O)[CH]3C[CH]13
SMILESOpenEye OEToolkits2.0.7B1(C2CC2c3ccc(c(c3O1)C(=O)O)F)O
Canonical SMILESCACTVS3.385 OB1Oc2c(ccc(F)c2C(O)=O)[C@@H]3C[C@H]13
Canonical SMILESOpenEye OEToolkits2.0.7 B1([C@H]2C[C@H]2c3ccc(c(c3O1)C(=O)O)F)O
InChIInChI1.06 InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m0/s1
InChIKeyInChI1.06 KOHUFVUIYUCFNG-WDSKDSINSA-N