2,6-bis(hydroxymethyl)oxane-3,4,5-triol

C7H14O6 — CID 4670797

IUPAC2,6-bis(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H14O6/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-12H,1-2H2
InChIKeyUBWUHZBLCOLWME-UHFFFAOYSA-N
MW194.18 g/mol
LogP-3.18
Rot. Bonds2

About 2,6-bis(hydroxymethyl)oxane-3,4,5-triol

2,6-bis(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 4670797) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is 2,6-bis(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2,6-bis(hydroxymethyl)oxane-3,4,5-triol
PubChem CID4670797
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name2,6-bis(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C7H14O6/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-12H,1-2H2
InChIKeyUBWUHZBLCOLWME-UHFFFAOYSA-N
XLogP-3.18
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-3.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,4R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89053522
(2R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89021671

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2,6-bis(hydroxymethyl)oxane-3,4,5-triol (CID 4670797) is 2,6-bis(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2,6-bis(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2,6-bis(hydroxymethyl)oxane-3,4,5-triol is OCC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2,6-bis(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is UBWUHZBLCOLWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O6/c8-1-3-5(10)7(12)6(11)4(2-9)13-3/h3-12H,1-2H2.
What are the key properties of 2,6-bis(hydroxymethyl)oxane-3,4,5-triol?
2,6-bis(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 194.18 g/mol, XLogP of -3.18, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 4670797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).