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

C17H31NO10 — CID 154429827

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

N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 154429827) has the molecular formula C17H31NO10 and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• PubChem CID: 154429827
• Molecular Formula: C17H31NO10
• Molecular Weight: 409.43 g/mol
• Exact Mass: 409.19
• IUPAC Name: N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• SMILES: CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O)C2O)C(CO)O[C@H]1C(C)C
• InChI: InChI=1S/C17H31NO10/c1-6(2)15-10(18-7(3)21)12(23)16(9(5-20)26-15)28-17-14(25)13(24)11(22)8(4-19)27-17/h6,8-17,19-20,22-25H,4-5H2,1-3H3,(H,18,21)/t8?,9?,10?,11-,12?,13?,14?,15-,16+,17-/m0/s1
• InChIKey: PPWUNWTWPJCMEE-VNQVJNOASA-N
• XLogP: -3.55
• TPSA: 178.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.43
LogP ≤ 5	-3.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CID 154429827) is N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O)C2O)C(CO)O[C@H]1C(C)C.

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

The InChIKey is PPWUNWTWPJCMEE-VNQVJNOASA-N. The full InChI is InChI=1S/C17H31NO10/c1-6(2)15-10(18-7(3)21)12(23)16(9(5-20)26-15)28-17-14(25)13(24)11(22)8(4-19)27-17/h6,8-17,19-20,22-25H,4-5H2,1-3H3,(H,18,21)/t8?,9?,10?,11-,12?,13?,14?,15-,16+,17-/m0/s1.

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

N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 409.43 g/mol, XLogP of -3.55, 6 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-2-propan-2-yl-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 154429827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).