(2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol

C25H42O21 — CID 163017836

About (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol

(2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol (PubChem CID 163017836) has the molecular formula C25H42O21 and a molecular weight of 678.59 g/mol. Its IUPAC name is (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol.

Molecular Properties

• Compound Name: (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol
• PubChem CID: 163017836
• Molecular Formula: C25H42O21
• Molecular Weight: 678.59 g/mol
• Exact Mass: 678.22
• IUPAC Name: (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol
• SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)OC[C@H]2O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C25H42O21/c26-1-7-11(29)15(33)24(41-7)45-19-6(28)3-39-22(17(19)35)44-10-5-40-23(43-9-4-38-21(37)14(32)13(9)31)18(36)20(10)46-25-16(34)12(30)8(2-27)42-25/h6-37H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14-,15+,16+,17-,18-,19+,20+,21+,22+,23+,24-,25-/m1/s1
• InChIKey: IWYIMSTXEJDGND-XAWYJIFXSA-N
• XLogP: -8.73
• TPSA: 325.83 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	678.59
LogP ≤ 5	-8.73
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol?

The IUPAC name of (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol (CID 163017836) is (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol.

What is the SMILES notation for (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol?

The canonical SMILES for (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol is OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)OC[C@H]2O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol?

The InChIKey is IWYIMSTXEJDGND-XAWYJIFXSA-N. The full InChI is InChI=1S/C25H42O21/c26-1-7-11(29)15(33)24(41-7)45-19-6(28)3-39-22(17(19)35)44-10-5-40-23(43-9-4-38-21(37)14(32)13(9)31)18(36)20(10)46-25-16(34)12(30)8(2-27)42-25/h6-37H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13+,14-,15+,16+,17-,18-,19+,20+,21+,22+,23+,24-,25-/m1/s1.

What are the key properties of (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol?

(2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol has a molecular weight of 678.59 g/mol, XLogP of -8.73, 10 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxyoxane-2,3,4-triol is sourced from PubChem (CID 163017836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).