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

C23H42N2O16 — CID 130289479

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

N-[(2R,4R,5S)-2-(3-aminopropoxy)-5-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 130289479) has the molecular formula C23H42N2O16 and a molecular weight of 602.59 g/mol. Its IUPAC name is N-[(2R,4R,5S)-2-(3-aminopropoxy)-5-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,4R,5S)-2-(3-aminopropoxy)-5-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 130289479
• Molecular Formula: C23H42N2O16
• Molecular Weight: 602.59 g/mol
• Exact Mass: 602.25
• IUPAC Name: N-[(2R,4R,5S)-2-(3-aminopropoxy)-5-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)NC1[C@H](OCCCN)OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)C2O)[C@@H]1O
• InChI: InChI=1S/C23H42N2O16/c1-8(29)25-12-15(32)19(11(7-28)39-21(12)36-4-2-3-24)40-23-18(35)20(14(31)10(6-27)38-23)41-22-17(34)16(33)13(30)9(5-26)37-22/h9-23,26-28,30-35H,2-7,24H2,1H3,(H,25,29)/t9?,10?,11?,12?,13-,14-,15+,16-,17?,18?,19+,20-,21+,22-,23-/m0/s1
• InChIKey: RCEUVOCLRJQZRO-WKPAZLDPSA-N
• XLogP: -7.06
• TPSA: 292.57 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	602.59
LogP ≤ 5	-7.06
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2R,4R,5S)-2-(3-aminopropoxy)-5-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 130289479) is N-[(2R,4R,5S)-2-(3-aminopropoxy)-5-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2R,4R,5S)-2-(3-aminopropoxy)-5-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1[C@H](OCCCN)OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)C2O)[C@@H]1O.

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

The InChIKey is RCEUVOCLRJQZRO-WKPAZLDPSA-N. The full InChI is InChI=1S/C23H42N2O16/c1-8(29)25-12-15(32)19(11(7-28)39-21(12)36-4-2-3-24)40-23-18(35)20(14(31)10(6-27)38-23)41-22-17(34)16(33)13(30)9(5-26)37-22/h9-23,26-28,30-35H,2-7,24H2,1H3,(H,25,29)/t9?,10?,11?,12?,13-,14-,15+,16-,17?,18?,19+,20-,21+,22-,23-/m0/s1.

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

N-[(2R,4R,5S)-2-(3-aminopropoxy)-5-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 602.59 g/mol, XLogP of -7.06, 12 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,4R,5S)-2-(3-aminopropoxy)-5-[(2S,4S,5S)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 130289479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).