2-(hydroxymethyl)oxane-2,3,5-triol

C6H12O5 — CID 91319547

IUPAC2-(hydroxymethyl)oxane-2,3,5-triol
SMILESOCC1(O)OCC(O)CC1O
InChIInChI=1S/C6H12O5/c7-3-6(10)5(9)1-4(8)2-11-6/h4-5,7-10H,1-3H2
InChIKeyFQNVTYOEEGVGLR-UHFFFAOYSA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds1

About 2-(hydroxymethyl)oxane-2,3,5-triol

2-(hydroxymethyl)oxane-2,3,5-triol (PubChem CID 91319547) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)oxane-2,3,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)oxane-2,3,5-triol
PubChem CID91319547
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name2-(hydroxymethyl)oxane-2,3,5-triol
SMILESOCC1(O)OCC(O)CC1O
InChIInChI=1S/C6H12O5/c7-3-6(10)5(9)1-4(8)2-11-6/h4-5,7-10H,1-3H2
InChIKeyFQNVTYOEEGVGLR-UHFFFAOYSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)oxane-2,3,5-triol?
The IUPAC name of 2-(hydroxymethyl)oxane-2,3,5-triol (CID 91319547) is 2-(hydroxymethyl)oxane-2,3,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)oxane-2,3,5-triol?
The canonical SMILES for 2-(hydroxymethyl)oxane-2,3,5-triol is OCC1(O)OCC(O)CC1O.
What is the InChIKey of 2-(hydroxymethyl)oxane-2,3,5-triol?
The InChIKey is FQNVTYOEEGVGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5/c7-3-6(10)5(9)1-4(8)2-11-6/h4-5,7-10H,1-3H2.
What are the key properties of 2-(hydroxymethyl)oxane-2,3,5-triol?
2-(hydroxymethyl)oxane-2,3,5-triol has a molecular weight of 164.16 g/mol, XLogP of -2.19, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)oxane-2,3,5-triol is sourced from PubChem (CID 91319547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).