N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide

C30H57NO11 — CID 67702927

About N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide

N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide (PubChem CID 67702927) has the molecular formula C30H57NO11 and a molecular weight of 607.78 g/mol. Its IUPAC name is N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide.

Molecular Properties

• Compound Name: N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide
• PubChem CID: 67702927
• Molecular Formula: C30H57NO11
• Molecular Weight: 607.78 g/mol
• Exact Mass: 607.39
• IUPAC Name: N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C30H57NO11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)31-29-26(38)25(37)28(21(19-33)40-29)42-30-27(39)24(36)23(35)20(18-32)41-30/h20-21,23-30,32-33,35-39H,2-19H2,1H3,(H,31,34)/t20-,21-,23-,24+,25-,26+,27+,28-,29?,30+/m1/s1
• InChIKey: MULIKVSZIJRHQU-ZUUQORMHSA-N
• XLogP: 0.99
• TPSA: 198.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	607.78
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	8
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 N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide?

The IUPAC name of N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide (CID 67702927) is N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide.

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

The canonical SMILES for N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O.

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

The InChIKey is MULIKVSZIJRHQU-ZUUQORMHSA-N. The full InChI is InChI=1S/C30H57NO11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)31-29-26(38)25(37)28(21(19-33)40-29)42-30-27(39)24(36)23(35)20(18-32)41-30/h20-21,23-30,32-33,35-39H,2-19H2,1H3,(H,31,34)/t20-,21-,23-,24+,25-,26+,27+,28-,29?,30+/m1/s1.

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

N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide has a molecular weight of 607.78 g/mol, XLogP of 0.99, 21 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]octadecanamide is sourced from PubChem (CID 67702927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).