[(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

C24H38O22S — CID 124511111

About [(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

[(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate (PubChem CID 124511111) has the molecular formula C24H38O22S and a molecular weight of 710.61 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
• PubChem CID: 124511111
• Molecular Formula: C24H38O22S
• Molecular Weight: 710.61 g/mol
• Exact Mass: 710.16
• IUPAC Name: [(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
• SMILES: O=S(=O)(O)O[C@@H]1[C@H](O[C@H]2O[C@@H]3CO[C@H]([C@H]2O)[C@H]3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@@H]4CO[C@H]([C@H]3O)[C@@H]4O)[C@H]2O)[C@@H](O)[C@H](O)O[C@@H]1CO
• InChI: InChI=1S/C24H38O22S/c25-1-5-9(27)18(44-22-12(30)17-10(28)7(41-22)3-37-17)13(31)23(40-5)43-15-8-4-38-19(15)14(32)24(42-8)45-20-11(29)21(33)39-6(2-26)16(20)46-47(34,35)36/h5-33H,1-4H2,(H,34,35,36)/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15+,16+,17+,18+,19-,20-,21-,22-,23+,24-/m1/s1
• InChIKey: GJJWTYKIIKCNMQ-HJHPOCCFSA-N
• XLogP: -7.83
• TPSA: 328.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	710.61
LogP ≤ 5	-7.83
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate?

The IUPAC name of [(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate (CID 124511111) is [(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate.

What is the SMILES notation for [(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate?

The canonical SMILES for [(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate is O=S(=O)(O)O[C@@H]1[C@H](O[C@H]2O[C@@H]3CO[C@H]([C@H]2O)[C@H]3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@@H]4CO[C@H]([C@H]3O)[C@@H]4O)[C@H]2O)[C@@H](O)[C@H](O)O[C@@H]1CO.

What is the InChIKey of [(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate?

The InChIKey is GJJWTYKIIKCNMQ-HJHPOCCFSA-N. The full InChI is InChI=1S/C24H38O22S/c25-1-5-9(27)18(44-22-12(30)17-10(28)7(41-22)3-37-17)13(31)23(40-5)43-15-8-4-38-19(15)14(32)24(42-8)45-20-11(29)21(33)39-6(2-26)16(20)46-47(34,35)36/h5-33H,1-4H2,(H,34,35,36)/t5-,6-,7-,8-,9+,10-,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,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate?

[(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate has a molecular weight of 710.61 g/mol, XLogP of -7.83, 10 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R,6R)-4-[[(1R,3R,4R,5R,8S)-8-[(2S,3R,4S,5S,6R)-4-[[(1R,3R,4R,5S,8R)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate is sourced from PubChem (CID 124511111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).