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

C28H50FNO15 — CID 10009563

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

N-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 10009563) has the molecular formula C28H50FNO15 and a molecular weight of 659.70 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 10009563
• Molecular Formula: C28H50FNO15
• Molecular Weight: 659.70 g/mol
• Exact Mass: 659.32
• IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](F)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C28H50FNO15/c1-3-4-5-6-7-8-9-40-27-24(39)22(37)20(35)16(44-27)12-41-28-25(23(38)19(34)15(11-32)43-28)45-26-18(30-13(2)33)21(36)17(29)14(10-31)42-26/h14-28,31-32,34-39H,3-12H2,1-2H3,(H,30,33)/t14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25+,26+,27-,28+/m1/s1
• InChIKey: XEXYNCZGLYJFNQ-QCRXLVNISA-N
• XLogP: -3.07
• TPSA: 246.32 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	659.70
LogP ≤ 5	-3.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 10009563) is N-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](F)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@H]1O.

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

The InChIKey is XEXYNCZGLYJFNQ-QCRXLVNISA-N. The full InChI is InChI=1S/C28H50FNO15/c1-3-4-5-6-7-8-9-40-27-24(39)22(37)20(35)16(44-27)12-41-28-25(23(38)19(34)15(11-32)43-28)45-26-18(30-13(2)33)21(36)17(29)14(10-31)42-26/h14-28,31-32,34-39H,3-12H2,1-2H3,(H,30,33)/t14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25+,26+,27-,28+/m1/s1.

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

N-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 659.70 g/mol, XLogP of -3.07, 16 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-octoxyoxan-2-yl]methoxy]oxan-3-yl]oxy-5-fluoro-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 10009563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).