(1R)-1-(dioxiran-3-yl)ethane-1,2-diol

C3H6O4 — CID 57339130

IUPAC(1R)-1-(dioxiran-3-yl)ethane-1,2-diol
SMILESOC[C@@H](O)C1OO1
InChIInChI=1S/C3H6O4/c4-1-2(5)3-6-7-3/h2-5H,1H2/t2-/m1/s1
InChIKeyYJYNSCFFHXPCMQ-UWTATZPHSA-N
MW106.08 g/mol
LogP-1.37
Rot. Bonds2

About (1R)-1-(dioxiran-3-yl)ethane-1,2-diol

(1R)-1-(dioxiran-3-yl)ethane-1,2-diol (PubChem CID 57339130) has the molecular formula C3H6O4 and a molecular weight of 106.08 g/mol. Its IUPAC name is (1R)-1-(dioxiran-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-(dioxiran-3-yl)ethane-1,2-diol
PubChem CID57339130
Molecular FormulaC3H6O4
Molecular Weight106.08 g/mol
Exact Mass106.03
IUPAC Name(1R)-1-(dioxiran-3-yl)ethane-1,2-diol
SMILESOC[C@@H](O)C1OO1
InChIInChI=1S/C3H6O4/c4-1-2(5)3-6-7-3/h2-5H,1H2/t2-/m1/s1
InChIKeyYJYNSCFFHXPCMQ-UWTATZPHSA-N
XLogP-1.37
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.08
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
1-(4-hydroxy-1,3-dioxolan-2-yl)ethane-1,2-diol
CID 143713808
1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol
CID 130122273
(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365
1-cyclopropylpentan-1-ol
CID 551238
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 688134
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(dioxiran-3-yl)ethane-1,2-diol?
The IUPAC name of (1R)-1-(dioxiran-3-yl)ethane-1,2-diol (CID 57339130) is (1R)-1-(dioxiran-3-yl)ethane-1,2-diol.
What is the SMILES notation for (1R)-1-(dioxiran-3-yl)ethane-1,2-diol?
The canonical SMILES for (1R)-1-(dioxiran-3-yl)ethane-1,2-diol is OC[C@@H](O)C1OO1.
What is the InChIKey of (1R)-1-(dioxiran-3-yl)ethane-1,2-diol?
The InChIKey is YJYNSCFFHXPCMQ-UWTATZPHSA-N. The full InChI is InChI=1S/C3H6O4/c4-1-2(5)3-6-7-3/h2-5H,1H2/t2-/m1/s1.
What are the key properties of (1R)-1-(dioxiran-3-yl)ethane-1,2-diol?
(1R)-1-(dioxiran-3-yl)ethane-1,2-diol has a molecular weight of 106.08 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(dioxiran-3-yl)ethane-1,2-diol is sourced from PubChem (CID 57339130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).