Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine

C₂₄H₅₂NNaO₅ — CID 173298395

About Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine

Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine (PubChem CID 173298395) has the molecular formula C₂₄H₅₂NNaO₅ and a molecular weight of 457.67 g/mol. Its IUPAC name is sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine.

Molecular Properties

• Compound Name: Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine
• PubChem CID: 173298395
• Molecular Formula: C₂₄H₅₂NNaO₅
• Molecular Weight: 457.67 g/mol
• Exact Mass: 457.37
• IUPAC Name: sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine
• SMILES: CCCCCCCCCCCCCCCCCCN.OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O.[H-].[Na+]
• InChI: InChI=1S/C18H39N.C6H12O5.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;7-1-4-6(10)5(9)3(8)2-11-4;;/h2-19H2,1H3;3-10H,1-2H2;;/q;;+1;-1/t;3-,4+,5+,6+;;/m.0../s1
• InChIKey: SDKNMJWCZUYPAT-SZRPRPAPSA-N
• XLogP: 0.78
• TPSA: 116.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.67
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine?

The IUPAC name of Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine (CID 173298395) is sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine.

What is the SMILES notation for Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine?

The canonical SMILES for Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine is CCCCCCCCCCCCCCCCCCN.OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O.[H-].[Na+].

What is the InChIKey of Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine?

The InChIKey is SDKNMJWCZUYPAT-SZRPRPAPSA-N. The full InChI is InChI=1S/C18H39N.C6H12O5.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;7-1-4-6(10)5(9)3(8)2-11-4;;/h2-19H2,1H3;3-10H,1-2H2;;/q;;+1;-1/t;3-,4+,5+,6+;;/m.0../s1.

What are the key properties of Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine?

Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine has a molecular weight of 457.67 g/mol, XLogP of 0.78, 17 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine is sourced from PubChem (CID 173298395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173298395 — identifiers, structure, computed properties (public domain)

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