CAS No. 110638-68-1

Chemical Identifiers

Linear Formula C12H21O12 • 0.5Ca • H2O
Pubchem CID 16219564
MDL Number MFCD10567434
EC No. 225-668-2
IUPAC Name calcium; (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate; hydrate
SMILES C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.O.[Ca+2]
InchI Identifier InChI=1S/2C12H22O12.Ca.H2O/c2*13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;;/h2*3-10,12-20H,1-2H2,(H,21,22);;1H2/q;;+2;/p-2/t2*3-,4-,5+,6+,7-,8-,9-,10-,12+;;/m11../s1
InchI Key LIUNXXYNUIALAY-BSLBODANSA-L

Health & Safety Information

Signal Word N/A
Hazard Statements N/A
Hazard Codes N/A
Risk Codes N/A
Safety Statements N/A
Transport Information NONH for all modes of transport
WGK Germany 3