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

C25H42O21 — CID 102024654

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

(3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol (PubChem CID 102024654) has the molecular formula C25H42O21 and a molecular weight of 678.59 g/mol. Its IUPAC name is (3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol.

Molecular Properties

• Compound Name: (3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
• PubChem CID: 102024654
• Molecular Formula: C25H42O21
• Molecular Weight: 678.59 g/mol
• Exact Mass: 678.22
• IUPAC Name: (3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol
• SMILES: OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5COC(O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)OC[C@H]3O)O[C@@H](CO)[C@@H]2O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C25H42O21/c26-1-7-11(29)17(35)24(41-7)46-20-14(32)8(2-27)42-25(20)45-19-6(28)3-39-23(18(19)36)44-10-5-40-22(16(34)13(10)31)43-9-4-38-21(37)15(33)12(9)30/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: XYBIZLHVFBBINQ-NMXBKHQKSA-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 (3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol?

The IUPAC name of (3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol (CID 102024654) is (3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol.

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

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

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

The InChIKey is XYBIZLHVFBBINQ-NMXBKHQKSA-N. The full InChI is InChI=1S/C25H42O21/c26-1-7-11(29)17(35)24(41-7)46-20-14(32)8(2-27)42-25(20)45-19-6(28)3-39-23(18(19)36)44-10-5-40-22(16(34)13(10)31)43-9-4-38-21(37)15(33)12(9)30/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 (3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol?

(3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-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 (3R,4R,5R)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,3,4-triol is sourced from PubChem (CID 102024654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).