2-(hydroxymethyl)oxane-3,4-diol;methanol

C7H16O5 — CID 144507531

IUPAC2-(hydroxymethyl)oxane-3,4-diol;methanol
SMILESCO.OCC1OCCC(O)C1O
InChIInChI=1S/C6H12O4.CH4O/c7-3-5-6(9)4(8)1-2-10-5;1-2/h4-9H,1-3H2;2H,1H3
InChIKeyJGABPUSJRPFVBD-UHFFFAOYSA-N
MW180.20 g/mol
LogP-1.90
Rot. Bonds1

About 2-(hydroxymethyl)oxane-3,4-diol;methanol

2-(hydroxymethyl)oxane-3,4-diol;methanol (PubChem CID 144507531) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)oxane-3,4-diol;methanol.

Molecular Properties

Compound Name2-(hydroxymethyl)oxane-3,4-diol;methanol
PubChem CID144507531
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Name2-(hydroxymethyl)oxane-3,4-diol;methanol
SMILESCO.OCC1OCCC(O)C1O
InChIInChI=1S/C6H12O4.CH4O/c7-3-5-6(9)4(8)1-2-10-5;1-2/h4-9H,1-3H2;2H,1H3
InChIKeyJGABPUSJRPFVBD-UHFFFAOYSA-N
XLogP-1.90
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 176704923
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol
CID 166480153
potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 177228869
(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 153374722
(2S,3S,4R)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 89257792
2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine
CID 171558060
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(2R,3S,4R,6S)-6-[[(2R,3S,4R,6S)-6-[[(2R,3S,4R)-3,4-dihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 174151873
(3S)-2-[(2-hydroxyethylamino)methyl]oxane-3,4-diol
CID 126606523
(3S)-2-[(oxan-4-ylamino)methyl]oxane-3,4-diol
CID 126606531

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)oxane-3,4-diol;methanol?
The IUPAC name of 2-(hydroxymethyl)oxane-3,4-diol;methanol (CID 144507531) is 2-(hydroxymethyl)oxane-3,4-diol;methanol.
What is the SMILES notation for 2-(hydroxymethyl)oxane-3,4-diol;methanol?
The canonical SMILES for 2-(hydroxymethyl)oxane-3,4-diol;methanol is CO.OCC1OCCC(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)oxane-3,4-diol;methanol?
The InChIKey is JGABPUSJRPFVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4.CH4O/c7-3-5-6(9)4(8)1-2-10-5;1-2/h4-9H,1-3H2;2H,1H3.
What are the key properties of 2-(hydroxymethyl)oxane-3,4-diol;methanol?
2-(hydroxymethyl)oxane-3,4-diol;methanol has a molecular weight of 180.20 g/mol, XLogP of -1.90, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)oxane-3,4-diol;methanol is sourced from PubChem (CID 144507531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).