(3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol

C28H48O22 — CID 90701125

About (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol

(3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 90701125) has the molecular formula C28H48O22 and a molecular weight of 736.67 g/mol. Its IUPAC name is (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol
• PubChem CID: 90701125
• Molecular Formula: C28H48O22
• Molecular Weight: 736.67 g/mol
• Exact Mass: 736.26
• IUPAC Name: (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol
• SMILES: C[C@H]1OC(O[C@@H]2[C@@H](COC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)OC(OC3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H]2OC2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C28H48O22/c1-6-11(31)15(35)20(40)25(43-6)48-22-10(5-42-24-19(39)17(37)13(33)8(3-29)45-24)47-28(50-27-18(38)14(34)9(4-30)46-27)23(22)49-26-21(41)16(36)12(32)7(2)44-26/h6-41H,3-5H2,1-2H3/t6-,7-,8-,9-,10-,11+,12+,13+,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24?,25?,26?,27?,28?/m1/s1
• InChIKey: KQDNSIFZSUHASV-LXUKMUEUSA-N
• XLogP: -8.59
• TPSA: 346.06 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	736.67
LogP ≤ 5	-8.59
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol?

The IUPAC name of (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol (CID 90701125) is (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol.

What is the SMILES notation for (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol?

The canonical SMILES for (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol is C[C@H]1OC(O[C@@H]2[C@@H](COC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)OC(OC3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H]2OC2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O.

What is the InChIKey of (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol?

The InChIKey is KQDNSIFZSUHASV-LXUKMUEUSA-N. The full InChI is InChI=1S/C28H48O22/c1-6-11(31)15(35)20(40)25(43-6)48-22-10(5-42-24-19(39)17(37)13(33)8(3-29)45-24)47-28(50-27-18(38)14(34)9(4-30)46-27)23(22)49-26-21(41)16(36)12(32)7(2)44-26/h6-41H,3-5H2,1-2H3/t6-,7-,8-,9-,10-,11+,12+,13+,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24?,25?,26?,27?,28?/m1/s1.

What are the key properties of (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol?

(3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 736.67 g/mol, XLogP of -8.59, 11 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R,6R)-2-[(2R,3R,4R)-5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-3-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 90701125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).