N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide

C32H55N5O18 — CID 167622764

About N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide

N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide (PubChem CID 167622764) has the molecular formula C32H55N5O18 and a molecular weight of 797.81 g/mol. Its IUPAC name is N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide.

Molecular Properties

• Compound Name: N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide
• PubChem CID: 167622764
• Molecular Formula: C32H55N5O18
• Molecular Weight: 797.81 g/mol
• Exact Mass: 797.35
• IUPAC Name: N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide
• SMILES: CCNC(=O)CCc1cn(CCCCC(=O)NCCO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]2O)nn1
• InChI: InChI=1S/C32H55N5O18/c1-2-33-20(41)7-6-15-11-37(36-35-15)9-4-3-5-19(40)34-8-10-50-31-28(49)29(55-32-27(48)25(46)22(43)17(13-39)53-32)23(44)18(54-31)14-51-30-26(47)24(45)21(42)16(12-38)52-30/h11,16-18,21-32,38-39,42-49H,2-10,12-14H2,1H3,(H,33,41)(H,34,40)/t16-,17-,18-,21-,22-,23-,24+,25+,26+,27+,28-,29+,30+,31-,32-/m1/s1
• InChIKey: APRBBNYVNPQFQM-WZSWBUMTSA-N
• XLogP: -6.90
• TPSA: 346.59 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	797.81
LogP ≤ 5	-6.90
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

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,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide?

The IUPAC name of N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide (CID 167622764) is N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide.

What is the SMILES notation for N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide?

The canonical SMILES for N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide is CCNC(=O)CCc1cn(CCCCC(=O)NCCO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]2O)nn1.

What is the InChIKey of N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide?

The InChIKey is APRBBNYVNPQFQM-WZSWBUMTSA-N. The full InChI is InChI=1S/C32H55N5O18/c1-2-33-20(41)7-6-15-11-37(36-35-15)9-4-3-5-19(40)34-8-10-50-31-28(49)29(55-32-27(48)25(46)22(43)17(13-39)53-32)23(44)18(54-31)14-51-30-26(47)24(45)21(42)16(12-38)52-30/h11,16-18,21-32,38-39,42-49H,2-10,12-14H2,1H3,(H,33,41)(H,34,40)/t16-,17-,18-,21-,22-,23-,24+,25+,26+,27+,28-,29+,30+,31-,32-/m1/s1.

What are the key properties of N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide?

N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide has a molecular weight of 797.81 g/mol, XLogP of -6.90, 20 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-5-[4-[3-(ethylamino)-3-oxopropyl]triazol-1-yl]pentanamide is sourced from PubChem (CID 167622764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).