ethane;2,3,4,5-tetrahydroxyhexanal

C8H18O5 — CID 174774074

IUPACethane;2,3,4,5-tetrahydroxyhexanal
SMILESCC.CC(O)C(O)C(O)C(O)C=O
InChIInChI=1S/C6H12O5.C2H6/c1-3(8)5(10)6(11)4(9)2-7;1-2/h2-6,8-11H,1H3;1-2H3
InChIKeyMBPTXOHLGNNWEH-UHFFFAOYSA-N
MW194.23 g/mol
LogP-1.33
Rot. Bonds4

About ethane;2,3,4,5-tetrahydroxyhexanal

ethane;2,3,4,5-tetrahydroxyhexanal (PubChem CID 174774074) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethane;2,3,4,5-tetrahydroxyhexanal.

Molecular Properties

Compound Nameethane;2,3,4,5-tetrahydroxyhexanal
PubChem CID174774074
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Nameethane;2,3,4,5-tetrahydroxyhexanal
SMILESCC.CC(O)C(O)C(O)C(O)C=O
InChIInChI=1S/C6H12O5.C2H6/c1-3(8)5(10)6(11)4(9)2-7;1-2/h2-6,8-11H,1H3;1-2H3
InChIKeyMBPTXOHLGNNWEH-UHFFFAOYSA-N
XLogP-1.33
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,3,4,5-tetrahydroxyhexanal
CID 71774580
(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
CID 10855815
(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
CID 6453351
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy(1,2,3,4,5,6-13C6)hexanal
CID 131953208
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide
CID 89407664
2-oxopropanoic acid;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
CID 157349570
azane;nitric acid;2,3,4,5-tetrahydroxyhexanal
CID 174863024
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87725092
furan;2,3,4,5-tetrahydroxyhexanal
CID 174834063
prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal
CID 87645178
(2S)-2-amino-3-methylbutanoic acid;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
CID 87877287
ethanol;propane-1,2,3-triol;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 163871444

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4,5-tetrahydroxyhexanal?
The IUPAC name of ethane;2,3,4,5-tetrahydroxyhexanal (CID 174774074) is ethane;2,3,4,5-tetrahydroxyhexanal.
What is the SMILES notation for ethane;2,3,4,5-tetrahydroxyhexanal?
The canonical SMILES for ethane;2,3,4,5-tetrahydroxyhexanal is CC.CC(O)C(O)C(O)C(O)C=O.
What is the InChIKey of ethane;2,3,4,5-tetrahydroxyhexanal?
The InChIKey is MBPTXOHLGNNWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5.C2H6/c1-3(8)5(10)6(11)4(9)2-7;1-2/h2-6,8-11H,1H3;1-2H3.
What are the key properties of ethane;2,3,4,5-tetrahydroxyhexanal?
ethane;2,3,4,5-tetrahydroxyhexanal has a molecular weight of 194.23 g/mol, XLogP of -1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4,5-tetrahydroxyhexanal is sourced from PubChem (CID 174774074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).