N-[(1R)-1,3-dihydroxy-1-[1-hydroxy-3-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxypropan-2-yl]acetamide

C14H27NO11 — CID 71171250

About N-[(1R)-1,3-dihydroxy-1-[1-hydroxy-3-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxypropan-2-yl]acetamide

N-[(1R)-1,3-dihydroxy-1-[1-hydroxy-3-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxypropan-2-yl]acetamide (PubChem CID 71171250) has the molecular formula C14H27NO11 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[(1R)-1,3-dihydroxy-1-[1-hydroxy-3-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxypropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1,3-dihydroxy-1-[1-hydroxy-3-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxypropan-2-yl]acetamide
• PubChem CID: 71171250
• Molecular Formula: C14H27NO11
• Molecular Weight: 385.37 g/mol
• Exact Mass: 385.16
• IUPAC Name: N-[(1R)-1,3-dihydroxy-1-[1-hydroxy-3-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxypropan-2-yl]acetamide
• SMILES: CC(=O)NC(CO)[C@H](O)OC(CO)CO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1O
• InChI: InChI=1S/C14H27NO11/c1-6(19)15-8(3-17)13(23)25-7(2-16)5-24-14-12(22)11(21)10(20)9(4-18)26-14/h7-14,16-18,20-23H,2-5H2,1H3,(H,15,19)/t7?,8?,9?,10-,11-,12?,13+,14+/m0/s1
• InChIKey: VZDSTJWPMPHLIZ-PYGLLQGSSA-N
• XLogP: -5.00
• TPSA: 198.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	385.37
LogP ≤ 5	-5.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1,3-dihydroxy-1-[1-hydroxy-3-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxypropan-2-yl]acetamide (CID 71171250) is N-[(1R)-1,3-dihydroxy-1-[1-hydroxy-3-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxypropan-2-yl]acetamide.

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

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

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

The InChIKey is VZDSTJWPMPHLIZ-PYGLLQGSSA-N. The full InChI is InChI=1S/C14H27NO11/c1-6(19)15-8(3-17)13(23)25-7(2-16)5-24-14-12(22)11(21)10(20)9(4-18)26-14/h7-14,16-18,20-23H,2-5H2,1H3,(H,15,19)/t7?,8?,9?,10-,11-,12?,13+,14+/m0/s1.

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

N-[(1R)-1,3-dihydroxy-1-[1-hydroxy-3-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxypropan-2-yl]acetamide has a molecular weight of 385.37 g/mol, XLogP of -5.00, 10 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1,3-dihydroxy-1-[1-hydroxy-3-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 71171250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).