6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid

C14H23NO10 — CID 90892657

About 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid

6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid (PubChem CID 90892657) has the molecular formula C14H23NO10 and a molecular weight of 365.34 g/mol. Its IUPAC name is 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid
• PubChem CID: 90892657
• Molecular Formula: C14H23NO10
• Molecular Weight: 365.34 g/mol
• Exact Mass: 365.13
• IUPAC Name: 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid
• SMILES: CCC(OC(C)=O)C(O)C1OC(O)(C(=O)O)CC(O)C1NC(=O)CO
• InChI: InChI=1S/C14H23NO10/c1-3-8(24-6(2)17)11(20)12-10(15-9(19)5-16)7(18)4-14(23,25-12)13(21)22/h7-8,10-12,16,18,20,23H,3-5H2,1-2H3,(H,15,19)(H,21,22)
• InChIKey: SFOWMEJRUWJMOD-UHFFFAOYSA-N
• XLogP: -2.91
• TPSA: 182.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.34
LogP ≤ 5	-2.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid?

The IUPAC name of 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid (CID 90892657) is 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid.

What is the SMILES notation for 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid?

The canonical SMILES for 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid is CCC(OC(C)=O)C(O)C1OC(O)(C(=O)O)CC(O)C1NC(=O)CO.

What is the InChIKey of 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid?

The InChIKey is SFOWMEJRUWJMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO10/c1-3-8(24-6(2)17)11(20)12-10(15-9(19)5-16)7(18)4-14(23,25-12)13(21)22/h7-8,10-12,16,18,20,23H,3-5H2,1-2H3,(H,15,19)(H,21,22).

What are the key properties of 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid?

6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid has a molecular weight of 365.34 g/mol, XLogP of -2.91, 7 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-acetyloxy-1-hydroxybutyl)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]oxane-2-carboxylic acid is sourced from PubChem (CID 90892657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).