[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol

C7H14O4 — CID 70296573

IUPAC[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol
SMILESCO[C@H]1C[C@H](CO)[C@@H](CO)O1
InChIInChI=1S/C7H14O4/c1-10-7-2-5(3-8)6(4-9)11-7/h5-9H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyJKQYMRFSYXXUMP-FSDSQADBSA-N
MW162.18 g/mol
LogP-0.65
Rot. Bonds3

About [(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol

[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol (PubChem CID 70296573) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is [(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol
PubChem CID70296573
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol
SMILESCO[C@H]1C[C@H](CO)[C@@H](CO)O1
InChIInChI=1S/C7H14O4/c1-10-7-2-5(3-8)6(4-9)11-7/h5-9H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyJKQYMRFSYXXUMP-FSDSQADBSA-N
XLogP-0.65
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol?
The IUPAC name of [(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol (CID 70296573) is [(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol.
What is the SMILES notation for [(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol?
The canonical SMILES for [(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol is CO[C@H]1C[C@H](CO)[C@@H](CO)O1.
What is the InChIKey of [(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol?
The InChIKey is JKQYMRFSYXXUMP-FSDSQADBSA-N. The full InChI is InChI=1S/C7H14O4/c1-10-7-2-5(3-8)6(4-9)11-7/h5-9H,2-4H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of [(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol?
[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol has a molecular weight of 162.18 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol is sourced from PubChem (CID 70296573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).