2,3-bis(hydroxymethyl)oxiran-2-ol

C4H8O4 — CID 141376073

IUPAC2,3-bis(hydroxymethyl)oxiran-2-ol
SMILESOCC1OC1(O)CO
InChIInChI=1S/C4H8O4/c5-1-3-4(7,2-6)8-3/h3,5-7H,1-2H2
InChIKeyVPFHKTFZRJVREQ-UHFFFAOYSA-N
MW120.10 g/mol
LogP-1.94
Rot. Bonds2

About 2,3-bis(hydroxymethyl)oxiran-2-ol

2,3-bis(hydroxymethyl)oxiran-2-ol (PubChem CID 141376073) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is 2,3-bis(hydroxymethyl)oxiran-2-ol.

Molecular Properties

Compound Name2,3-bis(hydroxymethyl)oxiran-2-ol
PubChem CID141376073
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name2,3-bis(hydroxymethyl)oxiran-2-ol
SMILESOCC1OC1(O)CO
InChIInChI=1S/C4H8O4/c5-1-3-4(7,2-6)8-3/h3,5-7H,1-2H2
InChIKeyVPFHKTFZRJVREQ-UHFFFAOYSA-N
XLogP-1.94
TPSA73.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3,3-diaminooxiran-2-yl)methanol
CID 174366808
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
[2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol
CID 87992141
2-(hydroxymethyl)-3,5-dimethyloxolan-2-ol
CID 177060045
(2S,3R)-2,3-bis(sulfanylmethyl)oxiran-2-ol
CID 42627076
(2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 57254767
2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol
CID 131967198
(3aR,5R,6S,6aR)-5,6-bis(hydroxymethyl)-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 58503396

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(hydroxymethyl)oxiran-2-ol?
The IUPAC name of 2,3-bis(hydroxymethyl)oxiran-2-ol (CID 141376073) is 2,3-bis(hydroxymethyl)oxiran-2-ol.
What is the SMILES notation for 2,3-bis(hydroxymethyl)oxiran-2-ol?
The canonical SMILES for 2,3-bis(hydroxymethyl)oxiran-2-ol is OCC1OC1(O)CO.
What is the InChIKey of 2,3-bis(hydroxymethyl)oxiran-2-ol?
The InChIKey is VPFHKTFZRJVREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c5-1-3-4(7,2-6)8-3/h3,5-7H,1-2H2.
What are the key properties of 2,3-bis(hydroxymethyl)oxiran-2-ol?
2,3-bis(hydroxymethyl)oxiran-2-ol has a molecular weight of 120.10 g/mol, XLogP of -1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(hydroxymethyl)oxiran-2-ol is sourced from PubChem (CID 141376073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).