acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C14H28O14 — CID 67893227

IUPACacetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCC1OC(O)C(O)C(O)C1O
InChIInChI=1S/C6H12O6.4C2H4O2/c7-1-2-3(8)4(9)5(10)6(11)12-2;4*1-2(3)4/h2-11H,1H2;4*1H3,(H,3,4)
InChIKeyRXTKHLSSCFBBPX-UHFFFAOYSA-N
MW420.36 g/mol
LogP-2.86
Rot. Bonds1

About acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol

acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 67893227) has the molecular formula C14H28O14 and a molecular weight of 420.36 g/mol. Its IUPAC name is acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Nameacetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID67893227
Molecular FormulaC14H28O14
Molecular Weight420.36 g/mol
Exact Mass420.15
IUPAC Nameacetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCC1OC(O)C(O)C(O)C1O
InChIInChI=1S/C6H12O6.4C2H4O2/c7-1-2-3(8)4(9)5(10)6(11)12-2;4*1-2(3)4/h2-11H,1H2;4*1H3,(H,3,4)
InChIKeyRXTKHLSSCFBBPX-UHFFFAOYSA-N
XLogP-2.86
TPSA259.58 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.36
LogP ≤ 5-2.86
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;oxalic acid
CID 11572561
(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
formaldehyde;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 20591630
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871
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

Frequently Asked Questions

What is the IUPAC name of acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 67893227) is acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCC1OC(O)C(O)C(O)C1O.
What is the InChIKey of acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is RXTKHLSSCFBBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O6.4C2H4O2/c7-1-2-3(8)4(9)5(10)6(11)12-2;4*1-2(3)4/h2-11H,1H2;4*1H3,(H,3,4).
What are the key properties of acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 420.36 g/mol, XLogP of -2.86, 1 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 67893227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).