acetamide;3,4,5,6-tetrahydroxyhexanal

C8H17NO6 — CID 174642001

IUPACacetamide;3,4,5,6-tetrahydroxyhexanal
SMILESCC(N)=O.O=CCC(O)C(O)C(O)CO
InChIInChI=1S/C6H12O5.C2H5NO/c7-2-1-4(9)6(11)5(10)3-8;1-2(3)4/h2,4-6,8-11H,1,3H2;1H3,(H2,3,4)
InChIKeyYKCYAZJPQCRKHF-UHFFFAOYSA-N
MW223.22 g/mol
LogP-2.86
Rot. Bonds5

About acetamide;3,4,5,6-tetrahydroxyhexanal

acetamide;3,4,5,6-tetrahydroxyhexanal (PubChem CID 174642001) has the molecular formula C8H17NO6 and a molecular weight of 223.22 g/mol. Its IUPAC name is acetamide;3,4,5,6-tetrahydroxyhexanal.

Molecular Properties

Compound Nameacetamide;3,4,5,6-tetrahydroxyhexanal
PubChem CID174642001
Molecular FormulaC8H17NO6
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Nameacetamide;3,4,5,6-tetrahydroxyhexanal
SMILESCC(N)=O.O=CCC(O)C(O)C(O)CO
InChIInChI=1S/C6H12O5.C2H5NO/c7-2-1-4(9)6(11)5(10)3-8;1-2(3)4/h2,4-6,8-11H,1,3H2;1H3,(H2,3,4)
InChIKeyYKCYAZJPQCRKHF-UHFFFAOYSA-N
XLogP-2.86
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 5-2.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal
CID 10352022
bis(2-amino-3-sulfanylpropanoic acid);3,4,5,6-tetrahydroxyhexanal
CID 174424241
[(2R,3S,4R)-2,3,4-trihydroxy-6-oxohexyl] acetate
CID 54029245
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
CID 157202007
(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
CID 155345176
(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526
acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol
CID 46915821
aminophosphonic acid;3,4,5-trihydroxypentanal
CID 174567832
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
2-methylprop-2-enamide;(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87645451
(3R,4R)-3,4-dihydroxyhexanedial
CID 130673483
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085

Frequently Asked Questions

What is the IUPAC name of acetamide;3,4,5,6-tetrahydroxyhexanal?
The IUPAC name of acetamide;3,4,5,6-tetrahydroxyhexanal (CID 174642001) is acetamide;3,4,5,6-tetrahydroxyhexanal.
What is the SMILES notation for acetamide;3,4,5,6-tetrahydroxyhexanal?
The canonical SMILES for acetamide;3,4,5,6-tetrahydroxyhexanal is CC(N)=O.O=CCC(O)C(O)C(O)CO.
What is the InChIKey of acetamide;3,4,5,6-tetrahydroxyhexanal?
The InChIKey is YKCYAZJPQCRKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5.C2H5NO/c7-2-1-4(9)6(11)5(10)3-8;1-2(3)4/h2,4-6,8-11H,1,3H2;1H3,(H2,3,4).
What are the key properties of acetamide;3,4,5,6-tetrahydroxyhexanal?
acetamide;3,4,5,6-tetrahydroxyhexanal has a molecular weight of 223.22 g/mol, XLogP of -2.86, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;3,4,5,6-tetrahydroxyhexanal is sourced from PubChem (CID 174642001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).