2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide

C14H26N2O12 — CID 59059976

About 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide

2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide (PubChem CID 59059976) has the molecular formula C14H26N2O12 and a molecular weight of 414.36 g/mol. Its IUPAC name is 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide
• PubChem CID: 59059976
• Molecular Formula: C14H26N2O12
• Molecular Weight: 414.36 g/mol
• Exact Mass: 414.15
• IUPAC Name: 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide
• SMILES: NOCC(=O)N[C@@H]1OC(CO)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O)[C@H]2O)C(O)C1O
• InChI: InChI=1S/C14H26N2O12/c15-25-3-6(19)16-13-10(23)9(22)12(5(2-18)26-13)28-14-11(24)8(21)7(20)4(1-17)27-14/h4-5,7-14,17-18,20-24H,1-3,15H2,(H,16,19)/t4?,5?,7-,8?,9?,10?,11+,12-,13+,14-/m0/s1
• InChIKey: AVTHEFWGXANDDT-XOUYGHFPSA-N
• XLogP: -6.38
• TPSA: 233.65 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	414.36
LogP ≤ 5	-6.38
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide?

The IUPAC name of 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide (CID 59059976) is 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide.

What is the SMILES notation for 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide?

The canonical SMILES for 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide is NOCC(=O)N[C@@H]1OC(CO)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O)[C@H]2O)C(O)C1O.

What is the InChIKey of 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide?

The InChIKey is AVTHEFWGXANDDT-XOUYGHFPSA-N. The full InChI is InChI=1S/C14H26N2O12/c15-25-3-6(19)16-13-10(23)9(22)12(5(2-18)26-13)28-14-11(24)8(21)7(20)4(1-17)27-14/h4-5,7-14,17-18,20-24H,1-3,15H2,(H,16,19)/t4?,5?,7-,8?,9?,10?,11+,12-,13+,14-/m0/s1.

What are the key properties of 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide?

2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide has a molecular weight of 414.36 g/mol, XLogP of -6.38, 7 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminooxy-N-[(2R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]acetamide is sourced from PubChem (CID 59059976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).