(2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C20H36O14 — CID 59965356

About (2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59965356) has the molecular formula C20H36O14 and a molecular weight of 500.49 g/mol. Its IUPAC name is (2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 59965356
• Molecular Formula: C20H36O14
• Molecular Weight: 500.49 g/mol
• Exact Mass: 500.21
• IUPAC Name: (2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CC[C@H]1C(CO[C@@H]2OC(CO[C@@H]3OC(CO)[C@H](O)C(O)C3O)[C@H](O)C(O)C2O)OCC(O)C1O
• InChI: InChI=1S/C20H36O14/c1-2-7-10(30-4-8(22)12(7)23)5-31-20-18(29)16(27)14(25)11(34-20)6-32-19-17(28)15(26)13(24)9(3-21)33-19/h7-29H,2-6H2,1H3/t7-,8?,9?,10?,11?,12?,13-,14-,15?,16?,17?,18?,19+,20+/m0/s1
• InChIKey: CUHBIMKZVSMMNS-OMQFICNWSA-N
• XLogP: -5.23
• TPSA: 228.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	500.49
LogP ≤ 5	-5.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of (2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 59965356) is (2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

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

The canonical SMILES for (2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CC[C@H]1C(CO[C@@H]2OC(CO[C@@H]3OC(CO)[C@H](O)C(O)C3O)[C@H](O)C(O)C2O)OCC(O)C1O.

What is the InChIKey of (2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is CUHBIMKZVSMMNS-OMQFICNWSA-N. The full InChI is InChI=1S/C20H36O14/c1-2-7-10(30-4-8(22)12(7)23)5-31-20-18(29)16(27)14(25)11(34-20)6-32-19-17(28)15(26)13(24)9(3-21)33-19/h7-29H,2-6H2,1H3/t7-,8?,9?,10?,11?,12?,13-,14-,15?,16?,17?,18?,19+,20+/m0/s1.

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

(2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 500.49 g/mol, XLogP of -5.23, 8 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-2-[[(3R,6R)-6-[[(3R)-3-ethyl-4,5-dihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59965356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).