(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

C24H42O21 — CID 11285309

About (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 11285309) has the molecular formula C24H42O21 and a molecular weight of 666.58 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
• PubChem CID: 11285309
• Molecular Formula: C24H42O21
• Molecular Weight: 666.58 g/mol
• Exact Mass: 666.22
• IUPAC Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
• SMILES: OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)C1O[C@@H]1O[C@@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)C2O)[C@@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C24H42O21/c25-1-5-9(27)12(30)17(35)22(42-5)39-3-7-10(28)13(31)18(36)23(43-7)40-4-8-11(29)14(32)19(37)24(44-8)45-20-6(2-26)41-21(38)16(34)15(20)33/h5-38H,1-4H2/t5-,6+,7-,8+,9+,10+,11-,12+,13+,14-,15+,16+,17-,18?,19+,20?,21-,22+,23+,24+/m1/s1
• InChIKey: ATSPLDSNUFFQBC-OKHXLCQUSA-N
• XLogP: -9.75
• TPSA: 347.83 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	666.58
LogP ≤ 5	-9.75
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol (CID 11285309) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol is OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)C1O[C@@H]1O[C@@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)C2O)[C@@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

The InChIKey is ATSPLDSNUFFQBC-OKHXLCQUSA-N. The full InChI is InChI=1S/C24H42O21/c25-1-5-9(27)12(30)17(35)22(42-5)39-3-7-10(28)13(31)18(36)23(43-7)40-4-8-11(29)14(32)19(37)24(44-8)45-20-6(2-26)41-21(38)16(34)15(20)33/h5-38H,1-4H2/t5-,6+,7-,8+,9+,10+,11-,12+,13+,14-,15+,16+,17-,18?,19+,20?,21-,22+,23+,24+/m1/s1.

What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 666.58 g/mol, XLogP of -9.75, 10 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3R,4S,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-[(2S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 11285309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).