(2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol

C36H64O30 — CID 91856417

About (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol

(2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol (PubChem CID 91856417) has the molecular formula C36H64O30 and a molecular weight of 976.88 g/mol. Its IUPAC name is (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
• PubChem CID: 91856417
• Molecular Formula: C36H64O30
• Molecular Weight: 976.88 g/mol
• Exact Mass: 976.35
• IUPAC Name: (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
• SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)O[C@H](CO)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O
• InChI: InChI=1S/C36H64O30/c1-8-27(62-35-25(55)30(17(47)12(5-40)59-35)65-33-22(52)19(49)16(46)11(4-39)58-33)20(50)23(53)32(57-8)64-29-14(7-42)61-34(24(54)21(29)51)66-31-18(48)13(6-41)60-36(26(31)56)63-28(10(44)3-38)15(45)9(43)2-37/h8-56H,2-7H2,1H3/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-,33-,34-,35+,36+/m0/s1
• InChIKey: UBOFGDKZEWEQTK-LKCKZBSWSA-N
• XLogP: -13.44
• TPSA: 496.90 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	976.88
LogP ≤ 5	-13.44
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

The IUPAC name of (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol (CID 91856417) is (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol.

What is the SMILES notation for (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

The canonical SMILES for (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol is C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO)O[C@H](CO)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O.

What is the InChIKey of (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

The InChIKey is UBOFGDKZEWEQTK-LKCKZBSWSA-N. The full InChI is InChI=1S/C36H64O30/c1-8-27(62-35-25(55)30(17(47)12(5-40)59-35)65-33-22(52)19(49)16(46)11(4-39)58-33)20(50)23(53)32(57-8)64-29-14(7-42)61-34(24(54)21(29)51)66-31-18(48)13(6-41)60-36(26(31)56)63-28(10(44)3-38)15(45)9(43)2-37/h8-56H,2-7H2,1H3/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-,33-,34-,35+,36+/m0/s1.

What are the key properties of (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol?

(2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol has a molecular weight of 976.88 g/mol, XLogP of -13.44, 19 rotatable bonds, 20 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-4-[(2R,3R,4S,5R,6R)-4-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol is sourced from PubChem (CID 91856417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).