2-Deoxy-2-((hydroxy(nitroso(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino)methylidene)amino)hexopyranose

HCID 6335348

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Basic information

CAS: 126479-62-7
Standard SMILES: CC1(C)CC(N(N=O)C(=O)NC2C(O)OC(CO)C(O)C2O)CC(C)(C)[N+]1=O
InChIKey: GAIDVCXWNPPKEM-UHFFFAOYSA-O
Molecular formula: C16H29N4O8+
Average molar mass: 405.42 g/mol
Monoisotopic mass: 405.1985389

Names & identifiers

Preferred name: 2-Deoxy-2-((hydroxy(nitroso(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino)methylidene)amino)hexopyranose
IUPAC: 1-nitroso-1-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea

Names & synonyms

DTXSID40925561126479-62-72-Deoxy-2-((hydroxy(nitroso(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino)methylidene)amino)hexopyranose2-Deoxy-2-({hydroxy[nitroso(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)amino]methylidene}amino)hexopyranoseRefChem:1062963DTXCID001354387D-Glucose, 2-deoxy-2-(((nitroso(2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)amino)carbonyl)amino)-

Database identifiers

CAS: 126479-62-7
PubChem CID: 6335348
DTXSID: DTXSID40925561

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 172 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 9
Rotatable bonds: 3
Heavy atoms: 28
Formal charge: 1
Complexity: 608

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