(2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C32H56O26 — CID 140919639

About (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 140919639) has the molecular formula C32H56O26 and a molecular weight of 856.77 g/mol. Its IUPAC name is (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 140919639
• Molecular Formula: C32H56O26
• Molecular Weight: 856.77 g/mol
• Exact Mass: 856.31
• IUPAC Name: (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CO[C@@H]1OC(CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3OC(CO[C@H]4OC(CO)[C@H](O)[C@H](O)C4O)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](OC)C(O)C4O)[C@H](O)C3O)C(O)C2O)[C@H](O)C1O
• InChI: InChI=1S/C32H56O26/c1-48-24-9(4-34)53-30(21(45)15(24)39)58-27-12(7-50-29-19(43)14(38)13(37)8(3-33)51-29)55-32(23(47)18(27)42)57-26-11(6-36)54-31(22(46)17(26)41)56-25-10(5-35)52-28(49-2)20(44)16(25)40/h8-47H,3-7H2,1-2H3/t8?,9-,10?,11-,12?,13-,14-,15?,16+,17?,18+,19?,20?,21?,22?,23?,24+,25+,26+,27+,28+,29-,30-,31-,32-/m0/s1
• InChIKey: NHJUEWXEWDQFMB-VESSXDIESA-N
• XLogP: -10.62
• TPSA: 404.98 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	856.77
LogP ≤ 5	-10.62
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 140919639) is (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CO[C@@H]1OC(CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3OC(CO[C@H]4OC(CO)[C@H](O)[C@H](O)C4O)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](OC)C(O)C4O)[C@H](O)C3O)C(O)C2O)[C@H](O)C1O.

What is the InChIKey of (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is NHJUEWXEWDQFMB-VESSXDIESA-N. The full InChI is InChI=1S/C32H56O26/c1-48-24-9(4-34)53-30(21(45)15(24)39)58-27-12(7-50-29-19(43)14(38)13(37)8(3-33)51-29)55-32(23(47)18(27)42)57-26-11(6-36)54-31(22(46)17(26)41)56-25-10(5-35)52-28(49-2)20(44)16(25)40/h8-47H,3-7H2,1-2H3/t8?,9-,10?,11-,12?,13-,14-,15?,16+,17?,18+,19?,20?,21?,22?,23?,24+,25+,26+,27+,28+,29-,30-,31-,32-/m0/s1.

What are the key properties of (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 856.77 g/mol, XLogP of -10.62, 15 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5R)-2-[[(3S,4R,6S)-3-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6-[(2S,3S,6S)-6-[(3S,4R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 140919639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).