Licopid

C₂₇H₄₅N₅O₁₆ — CID 5486810

About Licopid

Licopid (PubChem CID 5486810) has the molecular formula C₂₇H₄₅N₅O₁₆ and a molecular weight of 695.68 g/mol. Its IUPAC name is (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid.

Molecular Properties

• Compound Name: Licopid
• PubChem CID: 5486810
• Molecular Formula: C₂₇H₄₅N₅O₁₆
• Molecular Weight: 695.68 g/mol
• Exact Mass: 695.29
• IUPAC Name: (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid
• SMILES: CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H](C=O)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C27H45N5O16/c1-10(25(44)32-14(24(28)43)5-6-18(39)40)29-26(45)11(2)46-22(15(7-33)30-12(3)36)23(16(38)8-34)48-27-19(31-13(4)37)21(42)20(41)17(9-35)47-27/h7,10-11,14-17,19-23,27,34-35,38,41-42H,5-6,8-9H2,1-4H3,(H2,28,43)(H,29,45)(H,30,36)(H,31,37)(H,32,44)(H,39,40)/t10-,11+,14+,15-,16+,17+,19+,20+,21+,22+,23+,27-/m0/s1
• InChIKey: JPBBNLWRCVBGJS-KCAUTNRHSA-N
• XLogP: -6.51
• TPSA: 342.70 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	695.68
LogP ≤ 5	-6.51
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Licopid?

The IUPAC name of Licopid (CID 5486810) is (4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid.

What is the SMILES notation for Licopid?

The canonical SMILES for Licopid is CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@H](C=O)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O.

What is the InChIKey of Licopid?

The InChIKey is JPBBNLWRCVBGJS-KCAUTNRHSA-N. The full InChI is InChI=1S/C27H45N5O16/c1-10(25(44)32-14(24(28)43)5-6-18(39)40)29-26(45)11(2)46-22(15(7-33)30-12(3)36)23(16(38)8-34)48-27-19(31-13(4)37)21(42)20(41)17(9-35)47-27/h7,10-11,14-17,19-23,27,34-35,38,41-42H,5-6,8-9H2,1-4H3,(H2,28,43)(H,29,45)(H,30,36)(H,31,37)(H,32,44)(H,39,40)/t10-,11+,14+,15-,16+,17+,19+,20+,21+,22+,23+,27-/m0/s1.

What are the key properties of Licopid?

Licopid has a molecular weight of 695.68 g/mol, XLogP of -6.51, 20 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for Licopid is sourced from PubChem (CID 5486810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5486810 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1322 — approved-drug record (CC BY-SA 4.0)

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