methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate

C8H14O6 — CID 25139528

IUPACmethyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@H](CO)[C@H](O)[C@H]1OC
InChIInChI=1S/C8H14O6/c1-12-6-5(10)4(3-9)14-7(6)8(11)13-2/h4-7,9-10H,3H2,1-2H3/t4-,5+,6-,7+/m1/s1
InChIKeyLJHHCGKQTQVUJM-UCROKIRRSA-N
MW206.19 g/mol
LogP-1.71
Rot. Bonds3

About methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate

methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate (PubChem CID 25139528) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate
PubChem CID25139528
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Namemethyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@H](CO)[C@H](O)[C@H]1OC
InChIInChI=1S/C8H14O6/c1-12-6-5(10)4(3-9)14-7(6)8(11)13-2/h4-7,9-10H,3H2,1-2H3/t4-,5+,6-,7+/m1/s1
InChIKeyLJHHCGKQTQVUJM-UCROKIRRSA-N
XLogP-1.71
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate?
The IUPAC name of methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate (CID 25139528) is methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate.
What is the SMILES notation for methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate?
The canonical SMILES for methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate is COC(=O)[C@H]1O[C@H](CO)[C@H](O)[C@H]1OC.
What is the InChIKey of methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate?
The InChIKey is LJHHCGKQTQVUJM-UCROKIRRSA-N. The full InChI is InChI=1S/C8H14O6/c1-12-6-5(10)4(3-9)14-7(6)8(11)13-2/h4-7,9-10H,3H2,1-2H3/t4-,5+,6-,7+/m1/s1.
What are the key properties of methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate?
methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate has a molecular weight of 206.19 g/mol, XLogP of -1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolane-2-carboxylate is sourced from PubChem (CID 25139528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).