[2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol

C5H10O5 — CID 87992141

IUPAC[2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol
SMILESOCC1OC1(CO)C(O)O
InChIInChI=1S/C5H10O5/c6-1-3-5(2-7,10-3)4(8)9/h3-4,6-9H,1-2H2
InChIKeyHXQRGWZJWBEMBX-UHFFFAOYSA-N
MW150.13 g/mol
LogP-2.58
Rot. Bonds3

About [2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol

[2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol (PubChem CID 87992141) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is [2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol.

Molecular Properties

Compound Name[2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol
PubChem CID87992141
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name[2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol
SMILESOCC1OC1(CO)C(O)O
InChIInChI=1S/C5H10O5/c6-1-3-5(2-7,10-3)4(8)9/h3-4,6-9H,1-2H2
InChIKeyHXQRGWZJWBEMBX-UHFFFAOYSA-N
XLogP-2.58
TPSA93.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-2.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(hydroxymethyl)oxiran-2-ol
CID 141376073
(3,3-diaminooxiran-2-yl)methanol
CID 174366808
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
2-hydroxy-2-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 130020566
[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-hydroxymethyl]phosphonic acid
CID 70367512
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 688134
[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
CID 130892033
(1S,3E,5R)-1-[(2S,3S)-2-(hydroxymethyl)-3-[(Z)-5-hydroxy-3-methylpent-3-enyl]oxiran-2-yl]-4,8-dimethylnona-3,7-diene-1,5-diol
CID 162899702
(2R,3R,4S,5S)-4,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 57254767
[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-fluoromethyl]phosphonic acid
CID 70363464

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol?
The IUPAC name of [2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol (CID 87992141) is [2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol.
What is the SMILES notation for [2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol?
The canonical SMILES for [2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol is OCC1OC1(CO)C(O)O.
What is the InChIKey of [2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol?
The InChIKey is HXQRGWZJWBEMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c6-1-3-5(2-7,10-3)4(8)9/h3-4,6-9H,1-2H2.
What are the key properties of [2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol?
[2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol has a molecular weight of 150.13 g/mol, XLogP of -2.58, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(hydroxymethyl)oxiran-2-yl]methanediol is sourced from PubChem (CID 87992141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).