N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide

C42H79NO15 — CID 23642569

About N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide

N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide (PubChem CID 23642569) has the molecular formula C42H79NO15 and a molecular weight of 838.09 g/mol. Its IUPAC name is N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide.

Molecular Properties

• Compound Name: N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide
• PubChem CID: 23642569
• Molecular Formula: C42H79NO15
• Molecular Weight: 838.09 g/mol
• Exact Mass: 837.54
• IUPAC Name: N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide
• SMILES: CCCCCCCCCCCCCCN(CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)CCCCCCC
• InChI: InChI=1S/C42H79NO15/c1-5-7-9-11-12-13-14-15-16-17-19-21-23-43(30(45)22-20-18-10-8-6-2)24-25-53-42-39(58-41-36(51)34(49)32(47)28(4)55-41)37(52)38(29(26-44)56-42)57-40-35(50)33(48)31(46)27(3)54-40/h27-29,31-42,44,46-52H,5-26H2,1-4H3/t27-,28-,29+,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+/m0/s1
• InChIKey: BJZXYFWHMNFKSI-ZHDBEILVSA-N
• XLogP: 2.40
• TPSA: 237.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 28
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	838.09
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide?

The IUPAC name of N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide (CID 23642569) is N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide.

What is the SMILES notation for N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide?

The canonical SMILES for N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide is CCCCCCCCCCCCCCN(CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)CCCCCCC.

What is the InChIKey of N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide?

The InChIKey is BJZXYFWHMNFKSI-ZHDBEILVSA-N. The full InChI is InChI=1S/C42H79NO15/c1-5-7-9-11-12-13-14-15-16-17-19-21-23-43(30(45)22-20-18-10-8-6-2)24-25-53-42-39(58-41-36(51)34(49)32(47)28(4)55-41)37(52)38(29(26-44)56-42)57-40-35(50)33(48)31(46)27(3)54-40/h27-29,31-42,44,46-52H,5-26H2,1-4H3/t27-,28-,29+,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+/m0/s1.

What are the key properties of N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide?

N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide has a molecular weight of 838.09 g/mol, XLogP of 2.40, 28 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxyethyl]-N-tetradecyloctanamide is sourced from PubChem (CID 23642569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).