Nicofuranose

C₃₀H₂₄N₄O₁₀ — CID 25495

About Nicofuranose

Nicofuranose (PubChem CID 25495) has the molecular formula C₃₀H₂₄N₄O₁₀ and a molecular weight of 600.54 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-5-hydroxy-3,4-bis(pyridine-3-carbonyloxy)-5-(pyridine-3-carbonyloxymethyl)oxolan-2-yl]methyl pyridine-3-carboxylate.

Molecular Properties

• Compound Name: Nicofuranose
• PubChem CID: 25495
• Molecular Formula: C₃₀H₂₄N₄O₁₀
• Molecular Weight: 600.54 g/mol
• Exact Mass: 600.15
• IUPAC Name: [(2R,3R,4S,5R)-5-hydroxy-3,4-bis(pyridine-3-carbonyloxy)-5-(pyridine-3-carbonyloxymethyl)oxolan-2-yl]methyl pyridine-3-carboxylate
• SMILES: O=C(OC[C@H]1O[C@](O)(COC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1
• InChI: InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1
• InChIKey: FUWFSXZKBMCSKF-ZASNTINBSA-N
• XLogP: 1.82
• TPSA: 186.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.54
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Nicofuranose?

The IUPAC name of Nicofuranose (CID 25495) is [(2R,3R,4S,5R)-5-hydroxy-3,4-bis(pyridine-3-carbonyloxy)-5-(pyridine-3-carbonyloxymethyl)oxolan-2-yl]methyl pyridine-3-carboxylate.

What is the SMILES notation for Nicofuranose?

The canonical SMILES for Nicofuranose is O=C(OC[C@H]1O[C@](O)(COC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1.

What is the InChIKey of Nicofuranose?

The InChIKey is FUWFSXZKBMCSKF-ZASNTINBSA-N. The full InChI is InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1.

What are the key properties of Nicofuranose?

Nicofuranose has a molecular weight of 600.54 g/mol, XLogP of 1.82, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for Nicofuranose is sourced from PubChem (CID 25495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25495 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1916 — approved-drug record (CC BY-SA 4.0)

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