(2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C17H32FNO10 — CID 130466607

About (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 130466607) has the molecular formula C17H32FNO10 and a molecular weight of 429.44 g/mol. Its IUPAC name is (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 130466607
• Molecular Formula: C17H32FNO10
• Molecular Weight: 429.44 g/mol
• Exact Mass: 429.20
• IUPAC Name: (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: NCCCCCO[C@@H]1OC(CF)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)C1O
• InChI: InChI=1S/C17H32FNO10/c18-6-8-15(29-17-13(24)11(22)10(21)9(7-20)28-17)12(23)14(25)16(27-8)26-5-3-1-2-4-19/h8-17,20-25H,1-7,19H2/t8?,9?,10-,11-,12+,13?,14?,15+,16+,17-/m0/s1
• InChIKey: XPDVUMADCBROBT-MUNNJTLISA-N
• XLogP: -3.27
• TPSA: 184.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	429.44
LogP ≤ 5	-3.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 130466607) is (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is NCCCCCO[C@@H]1OC(CF)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)C1O.

What is the InChIKey of (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is XPDVUMADCBROBT-MUNNJTLISA-N. The full InChI is InChI=1S/C17H32FNO10/c18-6-8-15(29-17-13(24)11(22)10(21)9(7-20)28-17)12(23)14(25)16(27-8)26-5-3-1-2-4-19/h8-17,20-25H,1-7,19H2/t8?,9?,10-,11-,12+,13?,14?,15+,16+,17-/m0/s1.

What are the key properties of (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 429.44 g/mol, XLogP of -3.27, 10 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5R)-2-[(3S,4R,6R)-6-(5-aminopentoxy)-2-(fluoromethyl)-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 130466607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).