(2S,3R)-2-(hydroxymethyl)oxolan-3-ol

C5H10O3 — CID 21120394

IUPAC(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@@H]1OCC[C@H]1O
InChIInChI=1S/C5H10O3/c6-3-5-4(7)1-2-8-5/h4-7H,1-3H2/t4-,5+/m1/s1
InChIKeyNSMOSDAEGJTOIQ-UHNVWZDZSA-N
MW118.13 g/mol
LogP-0.87
Rot. Bonds1

About (2S,3R)-2-(hydroxymethyl)oxolan-3-ol

(2S,3R)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 21120394) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (2S,3R)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID21120394
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@@H]1OCC[C@H]1O
InChIInChI=1S/C5H10O3/c6-3-5-4(7)1-2-8-5/h4-7H,1-3H2/t4-,5+/m1/s1
InChIKeyNSMOSDAEGJTOIQ-UHNVWZDZSA-N
XLogP-0.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 153374722
(2S,3S,4R)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 89257792
2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
2-(3-hydroxypropyl)oxolan-3-ol
CID 145103835
1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 176704923
(2R,3R)-2-[[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl]oxan-3-ol
CID 100946621
potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 177228869
[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 101369485
(3-ethyloxolan-2-yl)methanol
CID 139662526
[(2S)-3-hydroperoxyoxolan-2-yl]methanol
CID 142984914
(2R,3R,4R)-2-(hydroxymethyl)-3-phenylmethoxyoxan-4-ol
CID 54189960

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2S,3R)-2-(hydroxymethyl)oxolan-3-ol (CID 21120394) is (2S,3R)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2S,3R)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2S,3R)-2-(hydroxymethyl)oxolan-3-ol is OC[C@@H]1OCC[C@H]1O.
What is the InChIKey of (2S,3R)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is NSMOSDAEGJTOIQ-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H10O3/c6-3-5-4(7)1-2-8-5/h4-7H,1-3H2/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-2-(hydroxymethyl)oxolan-3-ol?
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 118.13 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 21120394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).