[(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate

C14H24O12 — CID 91861700

About [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate

[(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate (PubChem CID 91861700) has the molecular formula C14H24O12 and a molecular weight of 384.33 g/mol. Its IUPAC name is [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate.

Molecular Properties

• Compound Name: [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate
• PubChem CID: 91861700
• Molecular Formula: C14H24O12
• Molecular Weight: 384.33 g/mol
• Exact Mass: 384.13
• IUPAC Name: [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate
• SMILES: CC(=O)OC[C@@H](O)[C@@H]1OC(O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
• InChI: InChI=1S/C14H24O12/c1-4(16)23-3-5(17)11-10(21)12(13(22)25-11)26-14-9(20)8(19)7(18)6(2-15)24-14/h5-15,17-22H,2-3H2,1H3/t5-,6-,7-,8+,9-,10+,11+,12-,13?,14-/m1/s1
• InChIKey: BIQSOXHOWCBPCH-RDFRRHMMSA-N
• XLogP: -4.83
• TPSA: 195.60 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	384.33
LogP ≤ 5	-4.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate?

The IUPAC name of [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate (CID 91861700) is [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate.

What is the SMILES notation for [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate?

The canonical SMILES for [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate is CC(=O)OC[C@@H](O)[C@@H]1OC(O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O.

What is the InChIKey of [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate?

The InChIKey is BIQSOXHOWCBPCH-RDFRRHMMSA-N. The full InChI is InChI=1S/C14H24O12/c1-4(16)23-3-5(17)11-10(21)12(13(22)25-11)26-14-9(20)8(19)7(18)6(2-15)24-14/h5-15,17-22H,2-3H2,1H3/t5-,6-,7-,8+,9-,10+,11+,12-,13?,14-/m1/s1.

What are the key properties of [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate?

[(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate has a molecular weight of 384.33 g/mol, XLogP of -4.83, 6 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[(2S,3S,4R)-3,5-dihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]-2-hydroxyethyl] acetate is sourced from PubChem (CID 91861700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).