[(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate

C9H16O6 — CID 58492842

IUPAC[(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate
SMILESCOC1C[C@@H](COC(=O)CO)O[C@H]1OC
InChIInChI=1S/C9H16O6/c1-12-7-3-6(15-9(7)13-2)5-14-8(11)4-10/h6-7,9-10H,3-5H2,1-2H3/t6-,7?,9+/m0/s1
InChIKeyKSJACKBVTQWQCA-JFOAVASISA-N
MW220.22 g/mol
LogP-0.70
Rot. Bonds5

About [(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate

[(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate (PubChem CID 58492842) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is [(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate.

Molecular Properties

Compound Name[(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate
PubChem CID58492842
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name[(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate
SMILESCOC1C[C@@H](COC(=O)CO)O[C@H]1OC
InChIInChI=1S/C9H16O6/c1-12-7-3-6(15-9(7)13-2)5-14-8(11)4-10/h6-7,9-10H,3-5H2,1-2H3/t6-,7?,9+/m0/s1
InChIKeyKSJACKBVTQWQCA-JFOAVASISA-N
XLogP-0.70
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate?
The IUPAC name of [(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate (CID 58492842) is [(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate.
What is the SMILES notation for [(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate?
The canonical SMILES for [(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate is COC1C[C@@H](COC(=O)CO)O[C@H]1OC.
What is the InChIKey of [(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate?
The InChIKey is KSJACKBVTQWQCA-JFOAVASISA-N. The full InChI is InChI=1S/C9H16O6/c1-12-7-3-6(15-9(7)13-2)5-14-8(11)4-10/h6-7,9-10H,3-5H2,1-2H3/t6-,7?,9+/m0/s1.
What are the key properties of [(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate?
[(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate has a molecular weight of 220.22 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-4,5-dimethoxyoxolan-2-yl]methyl 2-hydroxyacetate is sourced from PubChem (CID 58492842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).