N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C15H27NO10 — CID 67478607

About N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 67478607) has the molecular formula C15H27NO10 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 67478607
• Molecular Formula: C15H27NO10
• Molecular Weight: 381.38 g/mol
• Exact Mass: 381.16
• IUPAC Name: N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)NC1C(OC2(C(C)O)C(O)C(O)C2CO)OC(CO)C(O)C1O
• InChI: InChI=1S/C15H27NO10/c1-5(19)15(7(3-17)10(21)13(15)24)26-14-9(16-6(2)20)12(23)11(22)8(4-18)25-14/h5,7-14,17-19,21-24H,3-4H2,1-2H3,(H,16,20)
• InChIKey: ZFRZWARHDZBTEQ-UHFFFAOYSA-N
• XLogP: -4.59
• TPSA: 189.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.38
LogP ≤ 5	-4.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The IUPAC name of N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 67478607) is N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

What is the SMILES notation for N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The canonical SMILES for N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(OC2(C(C)O)C(O)C(O)C2CO)OC(CO)C(O)C1O.

What is the InChIKey of N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The InChIKey is ZFRZWARHDZBTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO10/c1-5(19)15(7(3-17)10(21)13(15)24)26-14-9(16-6(2)20)12(23)11(22)8(4-18)25-14/h5,7-14,17-19,21-24H,3-4H2,1-2H3,(H,16,20).

What are the key properties of N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 381.38 g/mol, XLogP of -4.59, 6 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2,3-dihydroxy-1-(1-hydroxyethyl)-4-(hydroxymethyl)cyclobutyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 67478607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).