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

C17H27NO11 — CID 58177667

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

N-[(2R,4R,5R)-4-hydroxy-6-(hydroxymethyl)-2-prop-2-ynoxy-5-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 58177667) has the molecular formula C17H27NO11 and a molecular weight of 421.40 g/mol. Its IUPAC name is N-[(2R,4R,5R)-4-hydroxy-6-(hydroxymethyl)-2-prop-2-ynoxy-5-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,4R,5R)-4-hydroxy-6-(hydroxymethyl)-2-prop-2-ynoxy-5-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• PubChem CID: 58177667
• Molecular Formula: C17H27NO11
• Molecular Weight: 421.40 g/mol
• Exact Mass: 421.16
• IUPAC Name: N-[(2R,4R,5R)-4-hydroxy-6-(hydroxymethyl)-2-prop-2-ynoxy-5-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• SMILES: C#CCO[C@@H]1OC(CO)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)C(O)C2O)[C@H](O)C1NC(C)=O
• InChI: InChI=1S/C17H27NO11/c1-3-4-26-16-10(18-7(2)21)12(23)15(9(6-20)28-16)29-17-14(25)13(24)11(22)8(5-19)27-17/h1,8-17,19-20,22-25H,4-6H2,2H3,(H,18,21)/t8-,9?,10?,11-,12-,13?,14?,15+,16-,17-/m1/s1
• InChIKey: NBBKNKNNGFIXFF-KGJSHPSHSA-N
• XLogP: -4.60
• TPSA: 187.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	421.40
LogP ≤ 5	-4.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(2R,4R,5R)-4-hydroxy-6-(hydroxymethyl)-2-prop-2-ynoxy-5-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CID 58177667) is N-[(2R,4R,5R)-4-hydroxy-6-(hydroxymethyl)-2-prop-2-ynoxy-5-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2R,4R,5R)-4-hydroxy-6-(hydroxymethyl)-2-prop-2-ynoxy-5-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is C#CCO[C@@H]1OC(CO)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)C(O)C2O)[C@H](O)C1NC(C)=O.

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

The InChIKey is NBBKNKNNGFIXFF-KGJSHPSHSA-N. The full InChI is InChI=1S/C17H27NO11/c1-3-4-26-16-10(18-7(2)21)12(23)15(9(6-20)28-16)29-17-14(25)13(24)11(22)8(5-19)27-17/h1,8-17,19-20,22-25H,4-6H2,2H3,(H,18,21)/t8-,9?,10?,11-,12-,13?,14?,15+,16-,17-/m1/s1.

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

N-[(2R,4R,5R)-4-hydroxy-6-(hydroxymethyl)-2-prop-2-ynoxy-5-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 421.40 g/mol, XLogP of -4.60, 7 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,4R,5R)-4-hydroxy-6-(hydroxymethyl)-2-prop-2-ynoxy-5-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 58177667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).