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bis(azanyl)methylidene-[3-[bis(azanyl)methylideneazaniumyl]-4-[3-[6-(hydroxymethyl)-3-(methylazaniumyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-methanoyl-5-methyl-4-oxidanyl-oxolan-2-yl]oxy-2,5,6-tris(oxidanyl)cyclohexyl]azanium trisulfate

Systemtic Name:	bis(azanyl)methylidene-[3-[bis(azanyl)methylideneazaniumyl]-4-[3-[6-(hydroxymethyl)-3-(methylazaniumyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-methanoyl-5-methyl-4-oxidanyl-oxolan-2-yl]oxy-2,5,6-tris(oxidanyl)cyclohexyl]azanium trisulfate
Openeye Name:	[2-[2-[2,4-bis(diaminomethyleneammonio)-3,5,6-trihydroxy-cyclohexoxy]-4-formyl-4-hydroxy-5-methyl-tetrahydrofuran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]-methyl-ammonium trisulfate
CAS Name:	[2-[[2-[2,4-bis(diaminomethylideneammonio)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyl-3-oxolanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]-methylammonium trisulfate
IUPAC Name:	[2-[2-[2,4-bis(diaminomethylideneazaniumyl)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-methylazanium trisulfate
Traditional Name:	[2-[2-[2,4-bis(diaminomethyleneammonio)-3,5,6-trihydroxy-cyclohexoxy]-4-formyl-4-hydroxy-5-methyl-tetrahydrofuran-3-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]-methyl-ammonium trisulfate
Formula:	C₄₂H₈₄N₁₄O₃₆S₃
MolecularWeight:	1457.38356

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)OC2C(C(C(C(C2O)O)[NH+]=C(N)N)O)[NH+]=C(N)N)OC3C(C(C(C(O3)CO)O)O)[NH2+]C)(C=O)O.CC1C(C(C(O1)OC2C(C(C(C(C2O)O)[NH+]=C(N)N)O)[NH+]=C(N)N)OC3C(C(C(C(O3)CO)O)O)[NH2+]C)(C=O)O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

InChI

InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)

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