N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide

C14H25NO11 — CID 56619494

About N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide

N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide (PubChem CID 56619494) has the molecular formula C14H25NO11 and a molecular weight of 383.35 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide
• PubChem CID: 56619494
• Molecular Formula: C14H25NO11
• Molecular Weight: 383.35 g/mol
• Exact Mass: 383.14
• IUPAC Name: N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide
• SMILES: CC(=O)N[C@@H](C=O)[C@](O)(C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C14H25NO11/c1-5(19)15-8(4-18)14(25,12(24)6(20)2-16)13-11(23)10(22)9(21)7(3-17)26-13/h4,6-13,16-17,20-25H,2-3H2,1H3,(H,15,19)/t6-,7-,8+,9+,10+,11-,12-,13?,14-/m1/s1
• InChIKey: FOWRXXSGAMPHKN-ZCGBBGKTSA-N
• XLogP: -6.02
• TPSA: 217.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	383.35
LogP ≤ 5	-6.02
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide?

The IUPAC name of N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide (CID 56619494) is N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide.

What is the SMILES notation for N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide?

The canonical SMILES for N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide is CC(=O)N[C@@H](C=O)[C@](O)(C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CO.

What is the InChIKey of N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide?

The InChIKey is FOWRXXSGAMPHKN-ZCGBBGKTSA-N. The full InChI is InChI=1S/C14H25NO11/c1-5(19)15-8(4-18)14(25,12(24)6(20)2-16)13-11(23)10(22)9(21)7(3-17)26-13/h4,6-13,16-17,20-25H,2-3H2,1H3,(H,15,19)/t6-,7-,8+,9+,10+,11-,12-,13?,14-/m1/s1.

What are the key properties of N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide?

N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide has a molecular weight of 383.35 g/mol, XLogP of -6.02, 8 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxo-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexan-2-yl]acetamide is sourced from PubChem (CID 56619494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).