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

C19H33NO12 — CID 59335261

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

N-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-methyl-4-oxohexanamide (PubChem CID 59335261) has the molecular formula C19H33NO12 and a molecular weight of 467.47 g/mol. Its IUPAC name is N-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-methyl-4-oxohexanamide.

Molecular Properties

• Compound Name: N-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-methyl-4-oxohexanamide
• PubChem CID: 59335261
• Molecular Formula: C19H33NO12
• Molecular Weight: 467.47 g/mol
• Exact Mass: 467.20
• IUPAC Name: N-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-methyl-4-oxohexanamide
• SMILES: CC(C)C(=O)CCC(=O)N[C@@H]1OC(CO)[C@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)C1O
• InChI: InChI=1S/C19H33NO12/c1-7(2)8(23)3-4-11(24)20-18-15(28)14(27)17(10(6-22)30-18)32-19-16(29)13(26)12(25)9(5-21)31-19/h7,9-10,12-19,21-22,25-29H,3-6H2,1-2H3,(H,20,24)/t9?,10?,12-,13-,14+,15?,16?,17-,18+,19-/m0/s1
• InChIKey: RNSMKUHHFXWZIE-BRHMJPFISA-N
• XLogP: -4.27
• TPSA: 215.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	467.47
LogP ≤ 5	-4.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of N-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-methyl-4-oxohexanamide (CID 59335261) is N-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-methyl-4-oxohexanamide.

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

The canonical SMILES for N-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-methyl-4-oxohexanamide is CC(C)C(=O)CCC(=O)N[C@@H]1OC(CO)[C@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)C1O.

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

The InChIKey is RNSMKUHHFXWZIE-BRHMJPFISA-N. The full InChI is InChI=1S/C19H33NO12/c1-7(2)8(23)3-4-11(24)20-18-15(28)14(27)17(10(6-22)30-18)32-19-16(29)13(26)12(25)9(5-21)31-19/h7,9-10,12-19,21-22,25-29H,3-6H2,1-2H3,(H,20,24)/t9?,10?,12-,13-,14+,15?,16?,17-,18+,19-/m0/s1.

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

N-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-methyl-4-oxohexanamide has a molecular weight of 467.47 g/mol, XLogP of -4.27, 9 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,4R,5R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-methyl-4-oxohexanamide is sourced from PubChem (CID 59335261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).