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

C14H24FNO10 — CID 90349530

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

N-[(3S,5S)-2-fluoro-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (PubChem CID 90349530) has the molecular formula C14H24FNO10 and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[(3S,5S)-2-fluoro-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3S,5S)-2-fluoro-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• PubChem CID: 90349530
• Molecular Formula: C14H24FNO10
• Molecular Weight: 385.34 g/mol
• Exact Mass: 385.14
• IUPAC Name: N-[(3S,5S)-2-fluoro-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1C(F)OC(CO)[C@@H](O)C1O[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1O
• InChI: InChI=1S/C14H24FNO10/c1-4(19)16-7-12(9(21)6(3-18)24-13(7)15)26-14-11(23)10(22)8(20)5(2-17)25-14/h5-14,17-18,20-23H,2-3H2,1H3,(H,16,19)/t5?,6?,7-,8-,9+,10?,11-,12?,13?,14-/m0/s1
• InChIKey: CKNNZAOVQFEZGX-YVBKSZOZSA-N
• XLogP: -4.28
• TPSA: 178.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.34
LogP ≤ 5	-4.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[(3S,5S)-2-fluoro-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CID 90349530) is N-[(3S,5S)-2-fluoro-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.

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

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

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

The InChIKey is CKNNZAOVQFEZGX-YVBKSZOZSA-N. The full InChI is InChI=1S/C14H24FNO10/c1-4(19)16-7-12(9(21)6(3-18)24-13(7)15)26-14-11(23)10(22)8(20)5(2-17)25-14/h5-14,17-18,20-23H,2-3H2,1H3,(H,16,19)/t5?,6?,7-,8-,9+,10?,11-,12?,13?,14-/m0/s1.

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

N-[(3S,5S)-2-fluoro-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide has a molecular weight of 385.34 g/mol, XLogP of -4.28, 5 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,5S)-2-fluoro-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is sourced from PubChem (CID 90349530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).