Calcium fructoborate

CAS Registry Number®

250141-42-5
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CAS Name

Calcium fructoborate

Molecular Formula

C12H20BO12.1/2Ca

Cite this Page

Calcium fructoborate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=250141-42-5 (retrieved 2024-04-25) (CAS RN: 250141-42-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H20BO12.Ca/c14-1-5-7(18)9-11(3-16,20-5)24-13(22-9)23-10-8(19)6(2-15)21-12(10,4-17)25-13;/h5-10,14-19H,1-4H2;/q-1;+2/t5-,6-,7-,8-,9+,10+,11+,12+;/m1./s1

InChIKey

InChIKey=GSXCZCHDNZYHIX-HRJZTBAXSA-N

SMILES

C(O)[C@]12[O-][B+3]3([O-][C@@]4(CO)[C@@]([O-]3)([C@H](O)[C@@H](CO)O4)[H])[O-][C@]1([C@H](O)[C@@H](CO)O2)[H].[Ca+2]

Canonical SMILES

[Ca+2].OCC1OC2([O-][B+3]3([O-]C2C1O)[O-]C4C(O)C(OC4([O-]3)CO)CO)CO

Other Names for this Substance

  • Borate(1-), bis[β-D-fructofuranosato(2-)-κO2,κO3]-, calcium (2:1), (T-4)-
  • Calcium fructoborate

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