(2S)-4-(hydroxymethyl)oxetane-2,3-diol

C4H8O4 — CID 130341188

IUPAC(2S)-4-(hydroxymethyl)oxetane-2,3-diol
SMILESOCC1O[C@H](O)C1O
InChIInChI=1S/C4H8O4/c5-1-2-3(6)4(7)8-2/h2-7H,1H2/t2?,3?,4-/m0/s1
InChIKeyWGBICNJMHDVHJB-LKHOQCSESA-N
MW120.10 g/mol
LogP-1.94
Rot. Bonds1

About (2S)-4-(hydroxymethyl)oxetane-2,3-diol

(2S)-4-(hydroxymethyl)oxetane-2,3-diol (PubChem CID 130341188) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is (2S)-4-(hydroxymethyl)oxetane-2,3-diol.

Molecular Properties

Compound Name(2S)-4-(hydroxymethyl)oxetane-2,3-diol
PubChem CID130341188
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name(2S)-4-(hydroxymethyl)oxetane-2,3-diol
SMILESOCC1O[C@H](O)C1O
InChIInChI=1S/C4H8O4/c5-1-2-3(6)4(7)8-2/h2-7H,1H2/t2?,3?,4-/m0/s1
InChIKeyWGBICNJMHDVHJB-LKHOQCSESA-N
XLogP-1.94
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(hydroxymethyl)oxetane-2,3-diol?
The IUPAC name of (2S)-4-(hydroxymethyl)oxetane-2,3-diol (CID 130341188) is (2S)-4-(hydroxymethyl)oxetane-2,3-diol.
What is the SMILES notation for (2S)-4-(hydroxymethyl)oxetane-2,3-diol?
The canonical SMILES for (2S)-4-(hydroxymethyl)oxetane-2,3-diol is OCC1O[C@H](O)C1O.
What is the InChIKey of (2S)-4-(hydroxymethyl)oxetane-2,3-diol?
The InChIKey is WGBICNJMHDVHJB-LKHOQCSESA-N. The full InChI is InChI=1S/C4H8O4/c5-1-2-3(6)4(7)8-2/h2-7H,1H2/t2?,3?,4-/m0/s1.
What are the key properties of (2S)-4-(hydroxymethyl)oxetane-2,3-diol?
(2S)-4-(hydroxymethyl)oxetane-2,3-diol has a molecular weight of 120.10 g/mol, XLogP of -1.94, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(hydroxymethyl)oxetane-2,3-diol is sourced from PubChem (CID 130341188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).