(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid

C57H95NO49 — CID 91849528

About (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 91849528) has the molecular formula C57H95NO49 and a molecular weight of 1578.35 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid
• PubChem CID: 91849528
• Molecular Formula: C57H95NO49
• Molecular Weight: 1578.35 g/mol
• Exact Mass: 1577.50
• IUPAC Name: (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid
• SMILES: CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@H]4[C@@H]([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]4O[C@@]4(C(=O)O)O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)[C@@H]4O)O[C@H]([C@@H](O)CO)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]([C@@H](O)CO[C@H]3O[C@H]([C@@H](O)CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C57H95NO49/c1-11(65)58-21-25(74)22(71)18(6-62)95-48(21)102-44-35(84)39(16(70)10-94-50-33(82)28(77)29(78)38(98-50)15(69)9-93-49-32(81)26(75)23(72)19(7-63)96-49)99-52(36(44)85)103-45-37(86)53(100-41(13(67)4-60)46(45)104-51-34(83)27(76)24(73)20(8-64)97-51)101-43-17(2-56(92,54(88)89)106-42(43)14(68)5-61)105-57(55(90)91)47(87)31(80)30(79)40(107-57)12(66)3-59/h12-53,59-64,66-87,92H,2-10H2,1H3,(H,58,65)(H,88,89)(H,90,91)/t12-,13+,14-,15+,16+,17-,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-,47+,48+,49+,50+,51+,52-,53-,56-,57-/m1/s1
• InChIKey: UBRYMKCQQHPRPM-UUBKVGOISA-N
• XLogP: -21.56
• TPSA: 828.82 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 47
• Rotatable Bonds: 30
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1578.35
LogP ≤ 5	-21.56
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The IUPAC name of (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 91849528) is (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid is CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@H]4[C@@H]([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]4O[C@@]4(C(=O)O)O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)[C@@H]4O)O[C@H]([C@@H](O)CO)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]([C@@H](O)CO[C@H]3O[C@H]([C@@H](O)CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid?

The InChIKey is UBRYMKCQQHPRPM-UUBKVGOISA-N. The full InChI is InChI=1S/C57H95NO49/c1-11(65)58-21-25(74)22(71)18(6-62)95-48(21)102-44-35(84)39(16(70)10-94-50-33(82)28(77)29(78)38(98-50)15(69)9-93-49-32(81)26(75)23(72)19(7-63)96-49)99-52(36(44)85)103-45-37(86)53(100-41(13(67)4-60)46(45)104-51-34(83)27(76)24(73)20(8-64)97-51)101-43-17(2-56(92,54(88)89)106-42(43)14(68)5-61)105-57(55(90)91)47(87)31(80)30(79)40(107-57)12(66)3-59/h12-53,59-64,66-87,92H,2-10H2,1H3,(H,58,65)(H,88,89)(H,90,91)/t12-,13+,14-,15+,16+,17-,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-,47+,48+,49+,50+,51+,52-,53-,56-,57-/m1/s1.

What are the key properties of (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid?

(2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 1578.35 g/mol, XLogP of -21.56, 30 rotatable bonds, 32 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R,6R)-2-[(2R,4R,5R,6R)-5-[(2R,3S,4R,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(1S)-1-hydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxyethyl]oxan-2-yl]oxy-6-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-2-hydroxyoxan-4-yl]oxy-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 91849528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).