(2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

C20H30O11 — CID 67215206

About (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

(2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 67215206) has the molecular formula C20H30O11 and a molecular weight of 446.45 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• PubChem CID: 67215206
• Molecular Formula: C20H30O11
• Molecular Weight: 446.45 g/mol
• Exact Mass: 446.18
• IUPAC Name: (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
• SMILES: CC(c1ccccc1)[C@@]1(O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C20H30O11/c1-9(10-5-3-2-4-6-10)20(28)18(27)16(25)14(23)12(31-20)8-29-19-17(26)15(24)13(22)11(7-21)30-19/h2-6,9,11-19,21-28H,7-8H2,1H3/t9?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
• InChIKey: XEWAGLPDOKVPOC-XVDVXUHISA-N
• XLogP: -3.22
• TPSA: 189.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	446.45
LogP ≤ 5	-3.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The IUPAC name of (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (CID 67215206) is (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

What is the SMILES notation for (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is CC(c1ccccc1)[C@@]1(O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

The InChIKey is XEWAGLPDOKVPOC-XVDVXUHISA-N. The full InChI is InChI=1S/C20H30O11/c1-9(10-5-3-2-4-6-10)20(28)18(27)16(25)14(23)12(31-20)8-29-19-17(26)15(24)13(22)11(7-21)30-19/h2-6,9,11-19,21-28H,7-8H2,1H3/t9?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1.

What are the key properties of (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?

(2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 446.45 g/mol, XLogP of -3.22, 6 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-(1-phenylethyl)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 67215206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).