(2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C48H83N3O34 — CID 53496074

About (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 53496074) has the molecular formula C48H83N3O34 and a molecular weight of 1246.18 g/mol. Its IUPAC name is (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• PubChem CID: 53496074
• Molecular Formula: C48H83N3O34
• Molecular Weight: 1246.18 g/mol
• Exact Mass: 1245.49
• IUPAC Name: (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• SMILES: CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](OCCCCCN)O[C@H](CO)[C@H]4O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H]2O)[C@@H]1O
• InChI: InChI=1S/C48H83N3O34/c1-15(58)50-24-17(60)8-48(47(72)73,85-40(24)26(62)18(61)9-52)84-39-23(14-57)79-45(34(70)31(39)67)81-36-20(11-54)76-42(25(28(36)64)51-16(2)59)80-37-21(12-55)77-44(32(68)29(37)65)82-38-22(13-56)78-46(33(69)30(38)66)83-41-27(63)19(10-53)75-43(35(41)71)74-7-5-3-4-6-49/h17-46,52-57,60-71H,3-14,49H2,1-2H3,(H,50,58)(H,51,59)(H,72,73)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41-,42+,43+,44+,45-,46-,48-/m0/s1
• InChIKey: FCKVBXAESSGATE-FCPOUPBQSA-N
• XLogP: -13.45
• TPSA: 596.42 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.18
LogP ≤ 5	-13.45
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The IUPAC name of (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 53496074) is (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

What is the SMILES notation for (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The canonical SMILES for (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](OCCCCCN)O[C@H](CO)[C@H]4O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H]2O)[C@@H]1O.

What is the InChIKey of (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The InChIKey is FCKVBXAESSGATE-FCPOUPBQSA-N. The full InChI is InChI=1S/C48H83N3O34/c1-15(58)50-24-17(60)8-48(47(72)73,85-40(24)26(62)18(61)9-52)84-39-23(14-57)79-45(34(70)31(39)67)81-36-20(11-54)76-42(25(28(36)64)51-16(2)59)80-37-21(12-55)77-44(32(68)29(37)65)82-38-22(13-56)78-46(33(69)30(38)66)83-41-27(63)19(10-53)75-43(35(41)71)74-7-5-3-4-6-49/h17-46,52-57,60-71H,3-14,49H2,1-2H3,(H,50,58)(H,51,59)(H,72,73)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41-,42+,43+,44+,45-,46-,48-/m0/s1.

What are the key properties of (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

(2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 1246.18 g/mol, XLogP of -13.45, 27 rotatable bonds, 22 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6R)-5-acetamido-6-[(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5R,6R)-2-(5-aminopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 53496074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).