furan;2,3,4,5-tetrahydroxyhexanal

C10H16O6 — CID 174834063

IUPACfuran;2,3,4,5-tetrahydroxyhexanal
SMILESCC(O)C(O)C(O)C(O)C=O.c1ccoc1
InChIInChI=1S/C6H12O5.C4H4O/c1-3(8)5(10)6(11)4(9)2-7;1-2-4-5-3-1/h2-6,8-11H,1H3;1-4H
InChIKeyJRYKYEPPJYTTOG-UHFFFAOYSA-N
MW232.23 g/mol
LogP-1.07
Rot. Bonds4

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

furan;2,3,4,5-tetrahydroxyhexanal (PubChem CID 174834063) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is furan;2,3,4,5-tetrahydroxyhexanal.

Molecular Properties

Compound Namefuran;2,3,4,5-tetrahydroxyhexanal
PubChem CID174834063
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namefuran;2,3,4,5-tetrahydroxyhexanal
SMILESCC(O)C(O)C(O)C(O)C=O.c1ccoc1
InChIInChI=1S/C6H12O5.C4H4O/c1-3(8)5(10)6(11)4(9)2-7;1-2-4-5-3-1/h2-6,8-11H,1H3;1-4H
InChIKeyJRYKYEPPJYTTOG-UHFFFAOYSA-N
XLogP-1.07
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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
ethane;2,3,4,5-tetrahydroxyhexanal
CID 174774074
furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 146448376
(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
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

Frequently Asked Questions

What is the IUPAC name of furan;2,3,4,5-tetrahydroxyhexanal?
The IUPAC name of furan;2,3,4,5-tetrahydroxyhexanal (CID 174834063) is furan;2,3,4,5-tetrahydroxyhexanal.
What is the SMILES notation for furan;2,3,4,5-tetrahydroxyhexanal?
The canonical SMILES for furan;2,3,4,5-tetrahydroxyhexanal is CC(O)C(O)C(O)C(O)C=O.c1ccoc1.
What is the InChIKey of furan;2,3,4,5-tetrahydroxyhexanal?
The InChIKey is JRYKYEPPJYTTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5.C4H4O/c1-3(8)5(10)6(11)4(9)2-7;1-2-4-5-3-1/h2-6,8-11H,1H3;1-4H.
What are the key properties of furan;2,3,4,5-tetrahydroxyhexanal?
furan;2,3,4,5-tetrahydroxyhexanal has a molecular weight of 232.23 g/mol, XLogP of -1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan;2,3,4,5-tetrahydroxyhexanal is sourced from PubChem (CID 174834063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).