sodium [5-azanyl-2-oxidanyl-2-[(1R)-1-phenylmethoxyethyl]-1,3-dioxa-2-boranuidacyclohex-5-yl]methanol

Systemtic Name: sodium [5-azanyl-2-oxidanyl-2-[(1R)-1-phenylmethoxyethyl]-1,3-dioxa-2-boranuidacyclohex-5-yl]methanol Openeye Name: sodium [5-amino-2-[(1R)-1-benzyloxyethyl]-2-hydroxy-1,3-dioxa-2-boranuidacyclohex-5-yl]methanol CAS Name: sodium [5-amino-2-hydroxy-2-[(1R)-1-phenylmethoxyethyl]-1,3-dioxa-2-boranuidacyclohex-5-yl]methanol IUPAC Name: sodium [5-amino-2-hydroxy-2-[(1R)-1-phenylmethoxyethyl]-1,3-dioxa-2-boranuidacyclohex-5-yl]methanol Traditional Name: sodium [5-amino-2-[(1R)-1-benzoxyethyl]-2-hydroxy-1,3-dioxa-2-boranuidacyclohex-5-yl]methanol Formula: C13H21BNNaO5 MolecularWeight: 305.11031

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Descriptors Computed from Structure

Canonical SMILES:

[B-]1(OCC(CO1)(CO)N)(C(C)OCC2=CC=CC=C2)O.[Na+]

Isomeric SMILES

[B-]1(OCC(CO1)(CO)N)([C@H](C)OCC2=CC=CC=C2)O.[Na+]

InChI

InChI=1S/C13H21BNO5.Na/c1-11(18-7-12-5-3-2-4-6-12)14(17)19-9-13(15,8-16)10-20-14;/h2-6,11,16-17H,7-10,15H2,1H3;/q-1;+1/t11-,13?,14?;/m0./s1