ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol

C14H30O8 — CID 145018788

IUPACethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol
SMILESCC.OCC1CC(O)CCO1.OCC1O[C@H](O)CC(O)[C@@H]1O
InChIInChI=1S/C6H12O5.C6H12O3.C2H6/c7-2-4-6(10)3(8)1-5(9)11-4;7-4-6-3-5(8)1-2-9-6;1-2/h3-10H,1-2H2;5-8H,1-4H2;1-2H3/t3?,4?,5-,6-;;/m0../s1
InChIKeyVCEPQKNWAAXENS-BMTMMEJUSA-N
MW326.39 g/mol
LogP-1.65
Rot. Bonds2

About ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol

ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol (PubChem CID 145018788) has the molecular formula C14H30O8 and a molecular weight of 326.39 g/mol. Its IUPAC name is ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Nameethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol
PubChem CID145018788
Molecular FormulaC14H30O8
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Nameethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol
SMILESCC.OCC1CC(O)CCO1.OCC1O[C@H](O)CC(O)[C@@H]1O
InChIInChI=1S/C6H12O5.C6H12O3.C2H6/c7-2-4-6(10)3(8)1-5(9)11-4;7-4-6-3-5(8)1-2-9-6;1-2/h3-10H,1-2H2;5-8H,1-4H2;1-2H3/t3?,4?,5-,6-;;/m0../s1
InChIKeyVCEPQKNWAAXENS-BMTMMEJUSA-N
XLogP-1.65
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.39
LogP ≤ 5-1.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(2S,5S)-6-[(4-ethenylphenyl)methoxymethyl]oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol
CID 145018621
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol
CID 156740552
7-(hydroxymethyl)oxepan-4-ol
CID 123972683
potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 177228869
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
2-(2-hydroxyethyl)oxan-4-ol
CID 123437591
6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol
CID 167208192

Frequently Asked Questions

What is the IUPAC name of ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol?
The IUPAC name of ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol (CID 145018788) is ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol is CC.OCC1CC(O)CCO1.OCC1O[C@H](O)CC(O)[C@@H]1O.
What is the InChIKey of ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol?
The InChIKey is VCEPQKNWAAXENS-BMTMMEJUSA-N. The full InChI is InChI=1S/C6H12O5.C6H12O3.C2H6/c7-2-4-6(10)3(8)1-5(9)11-4;7-4-6-3-5(8)1-2-9-6;1-2/h3-10H,1-2H2;5-8H,1-4H2;1-2H3/t3?,4?,5-,6-;;/m0../s1.
What are the key properties of ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol?
ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol has a molecular weight of 326.39 g/mol, XLogP of -1.65, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S,5S)-6-(hydroxymethyl)oxane-2,4,5-triol;2-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 145018788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).