(2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial

C6H11FO3S — CID 88665279

IUPAC(2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial
SMILESO[C@H]([C@H](O)CCF)[C@@H](O)C=S
InChIInChI=1S/C6H11FO3S/c7-2-1-4(8)6(10)5(9)3-11/h3-6,8-10H,1-2H2/t4-,5+,6-/m1/s1
InChIKeyZZVBPPWKALVLSW-NGJCXOISSA-N
MW182.22 g/mol
LogP-0.57
Rot. Bonds5

About (2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial

(2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial (PubChem CID 88665279) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial.

Molecular Properties

Compound Name(2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial
PubChem CID88665279
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name(2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial
SMILESO[C@H]([C@H](O)CCF)[C@@H](O)C=S
InChIInChI=1S/C6H11FO3S/c7-2-1-4(8)6(10)5(9)3-11/h3-6,8-10H,1-2H2/t4-,5+,6-/m1/s1
InChIKeyZZVBPPWKALVLSW-NGJCXOISSA-N
XLogP-0.57
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrahydroxypentanethial
CID 18533987
gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial
CID 87532917
[(3R,4S)-3,4,5-trihydroxy-2-oxo-6-sulfanylidenehexyl] dihydrogen phosphate
CID 87930759
1-fluoropentadecane-3,4-diol
CID 174316140
1-aminohex-5-ene-2,3,4-triol
CID 75252970
2-hydroxypentanethial
CID 54438498
(2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal
CID 139665627
(2S,3R,4S,5R)-2,3,4,5,7-pentahydroxyheptanal
CID 87503461
2-chloro-1,4-difluorobutan-1-ol
CID 175305281
(3R,4R)-hex-5-ene-1,3,4-triol
CID 121404469
decane-4,5,6,7-tetrol
CID 73238857
(2S,3S,4S)-2,3,4,5-tetrahydroxy(1,2,3,4,5-13C5)pentanal
CID 155903800

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial?
The IUPAC name of (2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial (CID 88665279) is (2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial.
What is the SMILES notation for (2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial?
The canonical SMILES for (2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial is O[C@H]([C@H](O)CCF)[C@@H](O)C=S.
What is the InChIKey of (2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial?
The InChIKey is ZZVBPPWKALVLSW-NGJCXOISSA-N. The full InChI is InChI=1S/C6H11FO3S/c7-2-1-4(8)6(10)5(9)3-11/h3-6,8-10H,1-2H2/t4-,5+,6-/m1/s1.
What are the key properties of (2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial?
(2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial has a molecular weight of 182.22 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial is sourced from PubChem (CID 88665279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).