(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide

C26H51NO11 — CID 174074470

About (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide

(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide (PubChem CID 174074470) has the molecular formula C26H51NO11 and a molecular weight of 553.69 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide.

Molecular Properties

• Compound Name: (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
• PubChem CID: 174074470
• Molecular Formula: C26H51NO11
• Molecular Weight: 553.69 g/mol
• Exact Mass: 553.35
• IUPAC Name: (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
• SMILES: CCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1OC(CO)[C@H](O)C(O)C1O
• InChI: InChI=1S/C26H51NO11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-25(36)23(34)21(32)19(30)17(29)16-37-26-24(35)22(33)20(31)18(15-28)38-26/h17-24,26,28-35H,2-16H2,1H3,(H,27,36)/t17-,18?,19-,20+,21+,22?,23-,24?,26+/m1/s1
• InChIKey: GUOAQGFEUPBRMS-HWNHOXSPSA-N
• XLogP: -0.94
• TPSA: 209.40 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	553.69
LogP ≤ 5	-0.94
H-Bond Donors ≤ 5	9
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 (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide?

The IUPAC name of (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide (CID 174074470) is (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide.

What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide?

The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide is CCCCCCCCCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1OC(CO)[C@H](O)C(O)C1O.

What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide?

The InChIKey is GUOAQGFEUPBRMS-HWNHOXSPSA-N. The full InChI is InChI=1S/C26H51NO11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-25(36)23(34)21(32)19(30)17(29)16-37-26-24(35)22(33)20(31)18(15-28)38-26/h17-24,26,28-35H,2-16H2,1H3,(H,27,36)/t17-,18?,19-,20+,21+,22?,23-,24?,26+/m1/s1.

What are the key properties of (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide?

(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide has a molecular weight of 553.69 g/mol, XLogP of -0.94, 21 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide is sourced from PubChem (CID 174074470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).