(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

C14H26O11 — CID 22860173

About (2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol

(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol (PubChem CID 22860173) has the molecular formula C14H26O11 and a molecular weight of 370.35 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol.

Molecular Properties

• Compound Name: (2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
• PubChem CID: 22860173
• Molecular Formula: C14H26O11
• Molecular Weight: 370.35 g/mol
• Exact Mass: 370.15
• IUPAC Name: (2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
• SMILES: CCOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C14H26O11/c1-2-22-4-6-7(16)8(17)11(20)14(24-6)25-12-5(3-15)23-13(21)10(19)9(12)18/h5-21H,2-4H2,1H3/t5-,6-,7+,8+,9-,10-,11-,12-,13+,14+/m1/s1
• InChIKey: ZUCNTQONKFRGSZ-BYBSGSAKSA-N
• XLogP: -4.35
• TPSA: 178.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	370.35
LogP ≤ 5	-4.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?

The IUPAC name of (2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol (CID 22860173) is (2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol.

What is the SMILES notation for (2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?

The canonical SMILES for (2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol is CCOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.

What is the InChIKey of (2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?

The InChIKey is ZUCNTQONKFRGSZ-BYBSGSAKSA-N. The full InChI is InChI=1S/C14H26O11/c1-2-22-4-6-7(16)8(17)11(20)14(24-6)25-12-5(3-15)23-13(21)10(19)9(12)18/h5-21H,2-4H2,1H3/t5-,6-,7+,8+,9-,10-,11-,12-,13+,14+/m1/s1.

What are the key properties of (2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol?

(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol has a molecular weight of 370.35 g/mol, XLogP of -4.35, 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)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol is sourced from PubChem (CID 22860173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).