[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate

C19H34O19S — CID 156616700

About [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate

[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate (PubChem CID 156616700) has the molecular formula C19H34O19S and a molecular weight of 598.53 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate.

Molecular Properties

• Compound Name: [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate
• PubChem CID: 156616700
• Molecular Formula: C19H34O19S
• Molecular Weight: 598.53 g/mol
• Exact Mass: 598.14
• IUPAC Name: [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate
• SMILES: C[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C19H34O19S/c1-19(29)16(12(26)8(22)6(3-21)37-19)36-18-13(27)11(25)9(23)7(35-18)4-33-17-14(28)15(38-39(30,31)32)10(24)5(2-20)34-17/h5-18,20-29H,2-4H2,1H3,(H,30,31,32)/t5-,6-,7-,8-,9-,10+,11+,12+,13+,14-,15+,16-,17-,18-,19+/m1/s1
• InChIKey: FRKIWZKFKRKXBI-NPQQZLBSSA-N
• XLogP: -7.36
• TPSA: 312.05 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	598.53
LogP ≤ 5	-7.36
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate?

The IUPAC name of [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate (CID 156616700) is [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate.

What is the SMILES notation for [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate?

The canonical SMILES for [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate is C[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O.

What is the InChIKey of [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate?

The InChIKey is FRKIWZKFKRKXBI-NPQQZLBSSA-N. The full InChI is InChI=1S/C19H34O19S/c1-19(29)16(12(26)8(22)6(3-21)37-19)36-18-13(27)11(25)9(23)7(35-18)4-33-17-14(28)15(38-39(30,31)32)10(24)5(2-20)34-17/h5-18,20-29H,2-4H2,1H3,(H,30,31,32)/t5-,6-,7-,8-,9-,10+,11+,12+,13+,14-,15+,16-,17-,18-,19+/m1/s1.

What are the key properties of [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate?

[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate has a molecular weight of 598.53 g/mol, XLogP of -7.36, 9 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]oxyoxan-2-yl]methoxy]oxan-4-yl] hydrogen sulfate is sourced from PubChem (CID 156616700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).