1-Azetidinesulfonic acid, 2-methyl-4-oxo-3-[[(phenylmethoxy)carbonyl]amino]-, sodium salt (1:1), (2S,3S)-

CAS Registry Number®

115887-91-7

CAS Name

1-Azetidinesulfonic acid, 2-methyl-4-oxo-3-[[(phenylmethoxy)carbonyl]amino]-, sodium salt (1:1), (2S,3S)-

Molecular Formula

C12H14N2O6S.Na

Cite this Page

1-Azetidinesulfonic acid, 2-methyl-4-oxo-3-[[(phenylmethoxy)carbonyl]amino]-, sodium salt (1:1), (2S,3S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115887-91-7 (retrieved 2025-01-31) (CAS RN: 115887-91-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-129 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C12H14N2O6S.Na/c1-8-10(11(15)14(8)21(17,18)19)13-12(16)20-7-9-5-3-2-4-6-9;/h2-6,8,10H,7H2,1H3,(H,13,16)(H,17,18,19);/t8-,10-;/m0./s1

InChIKey

InChIKey=KBEBCJMJULGVOR-GNAZCLTHSA-N

SMILES

S(=O)(=O)(O)N1[C@@H](C)[C@H](NC(OCC2=CC=CC=C2)=O)C1=O.[Na]

Canonical SMILES

[Na].O=C(OCC=1C=CC=CC1)NC2C(=O)N(C2C)S(=O)(=O)O

Other Names for this Substance

  • 1-Azetidinesulfonic acid, 2-methyl-4-oxo-3-[[(phenylmethoxy)carbonyl]amino]-, sodium salt (1:1), (2S,3S)-
  • 1-Azetidinesulfonic acid, 2-methyl-4-oxo-3-[[(phenylmethoxy)carbonyl]amino]-, monosodium salt, (2S-trans)-