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α-D-Glucopyranose-[1-13C] 1-(Dihydrogen phosphate) Cyclohexanamine Monohydrate

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General Information
Catalog: BLP-013234
CAS: 478518-99-9
Molecular Formula: C17[13C]H41N2O10P
Molecular Weight: 477.51

Chemical Structure

Synonyms	alpha-D-[1-13C]glucopyranosyl 1-phosphate (dicyclohexylammonium salt, monohydrate)
IUPAC Name	cyclohexanamine;[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2-13C)oxan-2-yl] dihydrogen phosphate;hydrate
Related CAS	106600-12-8 (unlabelled anhydrous)
Canonical SMILES	C1CCC(CC1)N.C1CCC(CC1)N.C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O.O
InChI	InChI=1S/2C6H13N.C6H13O9P.H2O/c27-6-4-2-1-3-5-6;7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;/h26H,1-5,7H2;2-10H,1H2,(H2,11,12,13);1H2/t;;2-,3-,4+,5-,6-;/m..1./s1/i;;6+1;
InChI Key	PHGHUASQVVQLSG-MHXAVDDSSA-N