(2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C26H46O21 — CID 164831265

About (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 164831265) has the molecular formula C26H46O21 and a molecular weight of 694.63 g/mol. Its IUPAC name is (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 164831265
• Molecular Formula: C26H46O21
• Molecular Weight: 694.63 g/mol
• Exact Mass: 694.25
• IUPAC Name: (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: OCC1O[C@H](COC[C@]2(CO[C@]3(CO[C@]4(CO)O[C@H](CO)[C@H](O)C4O)O[C@H](CO)[C@H](O)C3O)O[C@H](CO)[C@H](O)C2O)C(O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C26H46O21/c27-1-10-15(32)20(37)16(33)14(44-10)5-41-7-24(21(38)17(34)11(2-28)45-24)8-42-26(23(40)19(36)13(4-30)47-26)9-43-25(6-31)22(39)18(35)12(3-29)46-25/h10-23,27-40H,1-9H2/t10?,11-,12-,13-,14-,15-,16?,17+,18+,19+,20-,21?,22?,23?,24-,25-,26-/m1/s1
• InChIKey: QBUPWKWJWADZQO-JLHJVUSMSA-N
• XLogP: -9.66
• TPSA: 347.83 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	694.63
LogP ≤ 5	-9.66
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 164831265) is (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1O[C@H](COC[C@]2(CO[C@]3(CO[C@]4(CO)O[C@H](CO)[C@H](O)C4O)O[C@H](CO)[C@H](O)C3O)O[C@H](CO)[C@H](O)C2O)C(O)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is QBUPWKWJWADZQO-JLHJVUSMSA-N. The full InChI is InChI=1S/C26H46O21/c27-1-10-15(32)20(37)16(33)14(44-10)5-41-7-24(21(38)17(34)11(2-28)45-24)8-42-26(23(40)19(36)13(4-30)47-26)9-43-25(6-31)22(39)18(35)12(3-29)46-25/h10-23,27-40H,1-9H2/t10?,11-,12-,13-,14-,15-,16?,17+,18+,19+,20-,21?,22?,23?,24-,25-,26-/m1/s1.

What are the key properties of (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 694.63 g/mol, XLogP of -9.66, 15 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5S)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 164831265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).