AG-G-61630

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Basic information

CAS: 682771-51-3
Standard SMILES: CC(=O)NC[C@H]1NC[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey: QGBVLKXVGKVLMU-FNCVBFRFSA-N
Molecular formula: C9H18N2O4
Average molar mass: 218.25 g/mol
Monoisotopic mass: 218.12665706

Names & identifiers

Preferred name: AG-G-61630
IUPAC: N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]methyl]acetamide
English name: Acetamide, N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-piperidinyl]methyl]- (9CI)
Molecular formula: C9H18N2O4
Molecular weight: 218.25

Names & synonyms

682771-51-3DTXSID30434177AG-G-61630RefChem:317399DTXCID80385004N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]methyl]acetamideN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-YL]METHYL}ACETAMIDEAcetamide, N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-piperidinyl]methyl]-Acetamide, N-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-piperidinyl]methyl]- (9CI)

Database identifiers

CAS: 682771-51-3
PubChem CID: 10013628
DTXSID: DTXSID30434177

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 102 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 224

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Compound notes

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