[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol

C7H14O4 — CID 131019515

IUPAC[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
SMILESCO[C@@H]1[C@@H](OC)CO[C@H]1CO
InChIInChI=1S/C7H14O4/c1-9-6-4-11-5(3-8)7(6)10-2/h5-8H,3-4H2,1-2H3/t5-,6-,7-/m0/s1
InChIKeyGIVUKBOWFSQYFI-ACZMJKKPSA-N
MW162.18 g/mol
LogP-0.59
Rot. Bonds3

About [(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol

[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol (PubChem CID 131019515) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is [(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
PubChem CID131019515
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol
SMILESCO[C@@H]1[C@@H](OC)CO[C@H]1CO
InChIInChI=1S/C7H14O4/c1-9-6-4-11-5(3-8)7(6)10-2/h5-8H,3-4H2,1-2H3/t5-,6-,7-/m0/s1
InChIKeyGIVUKBOWFSQYFI-ACZMJKKPSA-N
XLogP-0.59
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol?
The IUPAC name of [(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol (CID 131019515) is [(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol?
The canonical SMILES for [(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol is CO[C@@H]1[C@@H](OC)CO[C@H]1CO.
What is the InChIKey of [(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol?
The InChIKey is GIVUKBOWFSQYFI-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H14O4/c1-9-6-4-11-5(3-8)7(6)10-2/h5-8H,3-4H2,1-2H3/t5-,6-,7-/m0/s1.
What are the key properties of [(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol?
[(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol has a molecular weight of 162.18 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S)-3,4-dimethoxyoxolan-2-yl]methanol is sourced from PubChem (CID 131019515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).