L-CHIRO-INOSITOL, 4-AMINO-1,4-DIDEOXY-3-O-(2,6-DIAMINO-2,3,4,6,7-PENTA DEOXY-BETA-L-LYXO-HEPTOPYRANOSYL)-6-O-METHYL-1-(2-(FORMIMIDOYLAMINO)-N-METHYLACETAMIDO)-, SULFATE (1:2), HYDRATE

CAS No.
73245-91-7
CCD No.
CCD00274092
Formula
C18 H36 N6 O6 . H2 O . 2 H2 O4 S
MolWeight
646.689

Basic Information

Product Name: L-CHIRO-INOSITOL, 4-AMINO-1,4-DIDEOXY-3-O-(2,6-DIAMINO-2,3,4,6,7-PENTA DEOXY-BETA-L-LYXO-HEPTOPYRANOSYL)-6-O-METHYL-1-(2-(FORMIMIDOYLAMINO)-N-METHYLACETAMIDO)-, SULFATE (1:2), HYDRATE
CAS: 73245-91-7
English Synonyms: L-CHIRO-INOSITOL, 4-AMINO-1,4-DIDEOXY-3-O-(2,6-DIAMINO-2,3,4,6,7-PENTA DEOXY-BETA-L-LYXO-HEPTOPYRANOSYL)-6-O-METHYL-1-(2-(FORMIMIDOYLAMINO)-N-METHYLACETAMIDO)-, SULFATE (1:2), HYDRATE
MDL Number.: MFCD01939663
H bond acceptor: 12
H bond donor: 7
Smile: CC([C@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@H]([C@H]2O)N(C)C(=O)CNC=N)OC)O)N)N)N.O.OS(=O)(=O)O.OS(=O)(=O)O
InChi: InChI=1S/C18H36N6O6.2H2O4S.H2O/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19;2*1-5(2,3)4;/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23);2*(H2,1,2,3,4);1H2/t8?,9-,10-,12+,13+,14+,15-,16-,17-,18-;;;/m1.../s1
InChiKey: InChIKey=JLRBYXDVVCTXRN-FSUTVEQOSA-N

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