(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol

C18H26O11 — CID 22873514

About (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol

(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol (PubChem CID 22873514) has the molecular formula C18H26O11 and a molecular weight of 418.40 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol.

Molecular Properties

• Compound Name: (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol
• PubChem CID: 22873514
• Molecular Formula: C18H26O11
• Molecular Weight: 418.40 g/mol
• Exact Mass: 418.15
• IUPAC Name: (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol
• SMILES: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COc2ccccc2)[C@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C18H26O11/c19-6-9-16(13(22)14(23)17(25)27-9)29-18-15(24)12(21)11(20)10(28-18)7-26-8-4-2-1-3-5-8/h1-5,9-25H,6-7H2/t9-,10-,11+,12+,13-,14-,15-,16-,17+,18+/m1/s1
• InChIKey: RFNFYJVSVZGZNJ-XZILNXCWSA-N
• XLogP: -3.31
• TPSA: 178.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	418.40
LogP ≤ 5	-3.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol (CID 22873514) is (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol.

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

The canonical SMILES for (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol is OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COc2ccccc2)[C@H](O)[C@H](O)[C@H]1O.

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

The InChIKey is RFNFYJVSVZGZNJ-XZILNXCWSA-N. The full InChI is InChI=1S/C18H26O11/c19-6-9-16(13(22)14(23)17(25)27-9)29-18-15(24)12(21)11(20)10(28-18)7-26-8-4-2-1-3-5-8/h1-5,9-25H,6-7H2/t9-,10-,11+,12+,13-,14-,15-,16-,17+,18+/m1/s1.

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

(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol has a molecular weight of 418.40 g/mol, XLogP of -3.31, 6 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenoxymethyl)oxan-2-yl]oxyoxane-2,3,4-triol is sourced from PubChem (CID 22873514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).