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

C24H40O19 — CID 24748939

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

(2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 24748939) has the molecular formula C24H40O19 and a molecular weight of 632.56 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 24748939
• Molecular Formula: C24H40O19
• Molecular Weight: 632.56 g/mol
• Exact Mass: 632.22
• IUPAC Name: (2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OC[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[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]2O)[C@H]1O
• InChI: InChI=1S/C24H40O19/c25-1-6(28)17-18(7(29)4-36-17)41-23-15(34)20(12(31)9(3-27)39-23)43-24-16(35)21-19(10(40-24)5-37-21)42-22-14(33)13(32)11(30)8(2-26)38-22/h6-35H,1-5H2/t6-,7+,8+,9+,10-,11-,12-,13-,14+,15+,16-,17+,18-,19+,20-,21-,22-,23-,24-/m0/s1
• InChIKey: MZVZILUOWKJAED-OCFVMVBOSA-N
• XLogP: -8.02
• TPSA: 296.37 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	632.56
LogP ≤ 5	-8.02
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of (2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 24748939) is (2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

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

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

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

The InChIKey is MZVZILUOWKJAED-OCFVMVBOSA-N. The full InChI is InChI=1S/C24H40O19/c25-1-6(28)17-18(7(29)4-36-17)41-23-15(34)20(12(31)9(3-27)39-23)43-24-16(35)21-19(10(40-24)5-37-21)42-22-14(33)13(32)11(30)8(2-26)38-22/h6-35H,1-5H2/t6-,7+,8+,9+,10-,11-,12-,13-,14+,15+,16-,17+,18-,19+,20-,21-,22-,23-,24-/m0/s1.

What are the key properties of (2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 632.56 g/mol, XLogP of -8.02, 10 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 24748939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).