6'''-O-Mannopyranosyl mannosidostreptomycin

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Basic information

CAS: 100759-54-4
Standard SMILES: CNC1C(OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1O
InChIKey: XIKSUQAETDPAAY-UHFFFAOYSA-N
Molecular formula: C33H59N7O22
Average molar mass: 905.9 g/mol
Monoisotopic mass: 905.37131654

Overview

6'''-O-Mannopyranosyl mannosidostreptomycin has been reported in Streptomyces sioyaensis with data available.

Names & identifiers

Preferred name: 6'''-O-Mannopyranosyl mannosidostreptomycin
IUPAC: 2-[3-(diaminomethylideneamino)-4-[4-formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine

Names & synonyms

6'''-O-Mannopyranosyl mannosidostreptomycin100759-54-46'''-Mpms2-[3-(diaminomethylideneamino)-4-[4-formyl-4-hydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine2-(3-(diaminomethylideneamino)-4-(4-formyl-4-hydroxy-3-(4-hydroxy-6-(hydroxymethyl)-3-(methylamino)-5-(3,4,5-trihydroxy-6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-5-methyloxolan-2-yl)oxy-2,5,6-trihydroxycyclohexyl)guanidineRefChem:103611DTXSID00905728N,N'-(4-{[Hexopyranosyl-(1->6)hexopyranosyl-(1->4)-2-deoxy-2-(methylamino)hexopyranosyl-(1->2)-5-deoxy-3-C-formylpentofuranosyl]oxy}-2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine

Database identifiers

CAS: 100759-54-4
PubChem CID: 196357
DTXSID: DTXSID00905728

Properties

Computed structural properties

XLogP: -12.3
Topological polar surface area: 495 Å²
Hydrogen bond donors: 18
Hydrogen bond acceptors: 25
Rotatable bonds: 15
Heavy atoms: 62
Formal charge: 0
Complexity: 1,540

Related reactions

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Compound notes

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