(3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol

C7H14O4 — CID 10329588

IUPAC(3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
SMILESCOC1OC[C@@H](O)[C@H]1CCO
InChIInChI=1S/C7H14O4/c1-10-7-5(2-3-8)6(9)4-11-7/h5-9H,2-4H2,1H3/t5-,6-,7?/m1/s1
InChIKeyOUAXFCFBRRVHGO-CQMSUOBXSA-N
MW162.18 g/mol
LogP-0.65
Rot. Bonds3

About (3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol

(3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol (PubChem CID 10329588) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
PubChem CID10329588
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
SMILESCOC1OC[C@@H](O)[C@H]1CCO
InChIInChI=1S/C7H14O4/c1-10-7-5(2-3-8)6(9)4-11-7/h5-9H,2-4H2,1H3/t5-,6-,7?/m1/s1
InChIKeyOUAXFCFBRRVHGO-CQMSUOBXSA-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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Related Compounds

4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol
CID 54169558
(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 15714977
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
2-[(1R,3S,4S,5R)-3-methoxy-2-oxabicyclo[3.1.0]hexan-4-yl]ethanol
CID 23727465
[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate
CID 102251070
[(2R,3R,4S,5S)-4,5-dihydroxy-2-methoxyoxan-3-yl] acetate
CID 14412088
2-(2-hydroxyethyl)oxetan-3-ol
CID 118010510
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol?
The IUPAC name of (3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol (CID 10329588) is (3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol is COC1OC[C@@H](O)[C@H]1CCO.
What is the InChIKey of (3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol?
The InChIKey is OUAXFCFBRRVHGO-CQMSUOBXSA-N. The full InChI is InChI=1S/C7H14O4/c1-10-7-5(2-3-8)6(9)4-11-7/h5-9H,2-4H2,1H3/t5-,6-,7?/m1/s1.
What are the key properties of (3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol?
(3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol 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 (3S,4R)-4-(2-hydroxyethyl)-5-methoxyoxolan-3-ol is sourced from PubChem (CID 10329588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).