6-(hydroxymethyl)oxane-2,3-diol

C6H12O4 — CID 22415851

IUPAC6-(hydroxymethyl)oxane-2,3-diol
SMILESOCC1CCC(O)C(O)O1
InChIInChI=1S/C6H12O4/c7-3-4-1-2-5(8)6(9)10-4/h4-9H,1-3H2
InChIKeyCPBXCXKVAHMABX-UHFFFAOYSA-N
MW148.16 g/mol
LogP-1.16
Rot. Bonds1

About 6-(hydroxymethyl)oxane-2,3-diol

6-(hydroxymethyl)oxane-2,3-diol (PubChem CID 22415851) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 6-(hydroxymethyl)oxane-2,3-diol.

Molecular Properties

Compound Name6-(hydroxymethyl)oxane-2,3-diol
PubChem CID22415851
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name6-(hydroxymethyl)oxane-2,3-diol
SMILESOCC1CCC(O)C(O)O1
InChIInChI=1S/C6H12O4/c7-3-4-1-2-5(8)6(9)10-4/h4-9H,1-3H2
InChIKeyCPBXCXKVAHMABX-UHFFFAOYSA-N
XLogP-1.16
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
[(2R,5S)-5-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]oxolan-2-yl]methanol
CID 57325873
ethane-1,2-diamine;[5-(hydroxymethyl)oxolan-2-yl]methanol
CID 174792194
N-[(2S,3R,6S)-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 131207372
[5-(oxiran-2-yl)oxolan-2-yl]methanol
CID 123518659
CID 169187680
CID 169187680
(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol
CID 54034612
(2R,3S,6R)-6-methyloxane-2,3-diol
CID 101435128
[(2R)-5-(dimethylamino)oxolan-2-yl]methanol
CID 59319470
[5-(nitrosomethyl)oxolan-2-yl]methanol
CID 129146326
hexane-1,2,5,6-tetrol;[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol;[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 159317615
[(2R,5R)-5-tert-butyloxolan-2-yl]methanol
CID 14506377

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)oxane-2,3-diol?
The IUPAC name of 6-(hydroxymethyl)oxane-2,3-diol (CID 22415851) is 6-(hydroxymethyl)oxane-2,3-diol.
What is the SMILES notation for 6-(hydroxymethyl)oxane-2,3-diol?
The canonical SMILES for 6-(hydroxymethyl)oxane-2,3-diol is OCC1CCC(O)C(O)O1.
What is the InChIKey of 6-(hydroxymethyl)oxane-2,3-diol?
The InChIKey is CPBXCXKVAHMABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c7-3-4-1-2-5(8)6(9)10-4/h4-9H,1-3H2.
What are the key properties of 6-(hydroxymethyl)oxane-2,3-diol?
6-(hydroxymethyl)oxane-2,3-diol has a molecular weight of 148.16 g/mol, XLogP of -1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)oxane-2,3-diol is sourced from PubChem (CID 22415851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).