[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate

C24H41N3O16 — CID 91857697

About [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate

[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate (PubChem CID 91857697) has the molecular formula C24H41N3O16 and a molecular weight of 627.60 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate
• PubChem CID: 91857697
• Molecular Formula: C24H41N3O16
• Molecular Weight: 627.60 g/mol
• Exact Mass: 627.25
• IUPAC Name: [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate
• SMILES: CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O
• InChI: InChI=1S/C24H41N3O16/c1-7(30)26-14-18(35)20(10(4-28)39-22(14)37)43-24-15(27-8(2)31)19(36)21(11(5-29)40-24)42-23-13(25)17(34)16(33)12(41-23)6-38-9(3)32/h10-24,28-29,33-37H,4-6,25H2,1-3H3,(H,26,30)(H,27,31)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22?,23+,24+/m1/s1
• InChIKey: QAKMLIDABGWMBN-MEWKLCDLSA-N
• XLogP: -6.75
• TPSA: 298.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	627.60
LogP ≤ 5	-6.75
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate (CID 91857697) is [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate is CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O.

What is the InChIKey of [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate?

The InChIKey is QAKMLIDABGWMBN-MEWKLCDLSA-N. The full InChI is InChI=1S/C24H41N3O16/c1-7(30)26-14-18(35)20(10(4-28)39-22(14)37)43-24-15(27-8(2)31)19(36)21(11(5-29)40-24)42-23-13(25)17(34)16(33)12(41-23)6-38-9(3)32/h10-24,28-29,33-37H,4-6,25H2,1-3H3,(H,26,30)(H,27,31)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22?,23+,24+/m1/s1.

What are the key properties of [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate?

[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate has a molecular weight of 627.60 g/mol, XLogP of -6.75, 10 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-amino-3,4-dihydroxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 91857697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).