ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C8H18O7 — CID 167433871

IUPACethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESCCO.OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6.C2H6O/c7-1-2-3(8)4(9)5(10)6(11)12-2;1-2-3/h2-11H,1H2;3H,2H2,1H3/t2-,3-,4+,5+,6+;/m1./s1
InChIKeyYZQHXBAMMMFOKK-XECIQJBQSA-N
MW226.22 g/mol
LogP-3.22
Rot. Bonds1

About ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 167433871) has the molecular formula C8H18O7 and a molecular weight of 226.22 g/mol. Its IUPAC name is ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Nameethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID167433871
Molecular FormulaC8H18O7
Molecular Weight226.22 g/mol
Exact Mass226.11
IUPAC Nameethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESCCO.OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O6.C2H6O/c7-1-2-3(8)4(9)5(10)6(11)12-2;1-2-3/h2-11H,1H2;3H,2H2,1H3/t2-,3-,4+,5+,6+;/m1./s1
InChIKeyYZQHXBAMMMFOKK-XECIQJBQSA-N
XLogP-3.22
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.22
LogP ≤ 5-3.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

(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,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
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855

Frequently Asked Questions

What is the IUPAC name of ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 167433871) is ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is CCO.OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is YZQHXBAMMMFOKK-XECIQJBQSA-N. The full InChI is InChI=1S/C6H12O6.C2H6O/c7-1-2-3(8)4(9)5(10)6(11)12-2;1-2-3/h2-11H,1H2;3H,2H2,1H3/t2-,3-,4+,5+,6+;/m1./s1.
What are the key properties of ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 226.22 g/mol, XLogP of -3.22, 1 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 167433871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).