(2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide

C72H134N2O29 — CID 126652783

About (2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide

(2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide (PubChem CID 126652783) has the molecular formula C72H134N2O29 and a molecular weight of 1491.85 g/mol. Its IUPAC name is (2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide.

Molecular Properties

• Compound Name: (2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide
• PubChem CID: 126652783
• Molecular Formula: C72H134N2O29
• Molecular Weight: 1491.85 g/mol
• Exact Mass: 1490.91
• IUPAC Name: (2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide
• SMILES: CCCCCCCCCCCCCCCCOC[C@@H](OCCCCCCCCCCCCCCCC)C(=O)NCCCCCO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O)C5O)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O
• InChI: InChI=1S/C72H134N2O29/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-36-92-44-51(93-37-33-29-27-25-23-21-19-17-15-13-11-9-7-5-2)67(91)73-35-31-30-34-38-94-69-60(88)57(85)63(49(42-78)98-69)100-71-61(89)58(86)64(50(43-79)99-71)101-72-62(90)66(55(83)48(41-77)97-72)103-68-52(74-45(3)80)65(54(82)47(40-76)95-68)102-70-59(87)56(84)53(81)46(39-75)96-70/h46-66,68-72,75-79,81-90H,4-44H2,1-3H3,(H,73,91)(H,74,80)/t46?,47?,48?,49?,50?,51-,52?,53+,54+,55+,56+,57-,58-,59?,60?,61?,62?,63-,64+,65-,66+,68+,69-,70+,71+,72-/m1/s1
• InChIKey: UZAYHUNFSXFLRK-WRZLNRINSA-N
• XLogP: 0.89
• TPSA: 472.41 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 29
• Rotatable Bonds: 55
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.85
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide?

The IUPAC name of (2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide (CID 126652783) is (2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide.

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

The canonical SMILES for (2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide is CCCCCCCCCCCCCCCCOC[C@@H](OCCCCCCCCCCCCCCCC)C(=O)NCCCCCO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O)C5O)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O.

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

The InChIKey is UZAYHUNFSXFLRK-WRZLNRINSA-N. The full InChI is InChI=1S/C72H134N2O29/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-36-92-44-51(93-37-33-29-27-25-23-21-19-17-15-13-11-9-7-5-2)67(91)73-35-31-30-34-38-94-69-60(88)57(85)63(49(42-78)98-69)100-71-61(89)58(86)64(50(43-79)99-71)101-72-62(90)66(55(83)48(41-77)97-72)103-68-52(74-45(3)80)65(54(82)47(40-76)95-68)102-70-59(87)56(84)53(81)46(39-75)96-70/h46-66,68-72,75-79,81-90H,4-44H2,1-3H3,(H,73,91)(H,74,80)/t46?,47?,48?,49?,50?,51-,52?,53+,54+,55+,56+,57-,58-,59?,60?,61?,62?,63-,64+,65-,66+,68+,69-,70+,71+,72-/m1/s1.

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

(2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide has a molecular weight of 1491.85 g/mol, XLogP of 0.89, 55 rotatable bonds, 17 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[5-[(2R,4R,5S)-5-[(2S,4R,5R)-5-[(2R,4S,5S)-4-[(2S,4R,5R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]-2,3-dihexadecoxypropanamide is sourced from PubChem (CID 126652783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).