N-[2-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-N-methylmethanimidamide

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Basic information

CAS: 10225-46-4
Standard SMILES: CC1OC(OC2C(O)C(O)C(N=C(N)N)C(O)C2N=C(N)N)C(OC2OC(CO)C(O)C(O)C2N(C)C=N)C1(O)CO
InChIKey: NILIZBVATKKSNN-UHFFFAOYSA-N
Molecular formula: C22H42N8O12
Average molar mass: 610.6 g/mol
Monoisotopic mass: 610.2922188

Names & identifiers

Preferred name: N-[2-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-N-methylmethanimidamide
IUPAC: N-[2-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-N-methylmethanimidamide

Names & synonyms

10225-46-4NSC 18702STREPOMYCIN, FORMIMIDOYLDIHYDRO, SESQUISULFATE SALTGuanidine, N,N'''-(4-((5-deoxy-2-O-(2-deoxy-2-((iminomethyl)methylamino)hexopyranosyl)-3-C-(hydroxymethyl)pentofuranosyl)oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl)bis-, sulfate (1:2) (salt)Guanidine, N,N'''-[4-[[5-deoxy-2-O-[2-deoxy-2-[(iminomethyl)methylamino]hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl]oxy]-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis-, sulfate (1:2) (salt)N-[2-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-N-methylmethanimidamideN-[2-[2-[2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-N-methylmethanimidamide;sulfuric acidN-[2-[2-(2,4-diguanidino-3,5,6-trihydroxy-cyclohexoxy)-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]-N-methyl-formamidine

Database identifiers

Properties

Computed structural properties

XLogP: -8.1
Topological polar surface area: 355 Å²
Hydrogen bond donors: 13
Hydrogen bond acceptors: 15
Rotatable bonds: 10
Heavy atoms: 42
Formal charge: 0
Complexity: 989

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