3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

C10H17FO8 — CID 91232282

IUPAC3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
SMILESCC1C(O)C(F)C(O)(C(=O)O)OC1C(O)C(O)CO
InChIInChI=1S/C10H17FO8/c1-3-5(14)8(11)10(18,9(16)17)19-7(3)6(15)4(13)2-12/h3-8,12-15,18H,2H2,1H3,(H,16,17)
InChIKeyMOFHWDCDDGPIAY-UHFFFAOYSA-N
MW284.24 g/mol
LogP-2.79
Rot. Bonds4

About 3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid (PubChem CID 91232282) has the molecular formula C10H17FO8 and a molecular weight of 284.24 g/mol. Its IUPAC name is 3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
PubChem CID91232282
Molecular FormulaC10H17FO8
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
SMILESCC1C(O)C(F)C(O)(C(=O)O)OC1C(O)C(O)CO
InChIInChI=1S/C10H17FO8/c1-3-5(14)8(11)10(18,9(16)17)19-7(3)6(15)4(13)2-12/h3-8,12-15,18H,2H2,1H3,(H,16,17)
InChIKeyMOFHWDCDDGPIAY-UHFFFAOYSA-N
XLogP-2.79
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.24
LogP ≤ 5-2.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid with MolForge

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Related Compounds

(2S,4S,5R,6R)-5-acetyl-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 25162920
2,6-Anhydro-3-deoxy-3-fluoronononic acid
CID 5327010
propan-2-yl (2S,5S,6R)-6-[(2S)-4-hydroxy-2-methoxybutyl]-5-methyloxane-2-carboxylate
CID 24867728
GlyTouCan:G30309BB
CID 135070300
(2R,5R)-3-fluoro-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 135070485
(2S,4R,6R)-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 14311862
(4R,6R)-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 129661367
Glucose acetate butyrate
CID 129720636
Glucoselactic acid
CID 141001139
GlyTouCan:G98586FP
CID 54571679
(4S,5R)-6-[(1R,2R)-1-fluoro-2,3-dihydroxypropyl]-2,4-dihydroxy-5-methyloxane-2-carboxylic acid
CID 58083948
(4S,5R)-6-[(1R,2R)-3-fluoro-1,2-dihydroxypropyl]-2,4-dihydroxy-5-methyloxane-2-carboxylic acid
CID 58083972

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The IUPAC name of 3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid (CID 91232282) is 3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The canonical SMILES for 3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid is CC1C(O)C(F)C(O)(C(=O)O)OC1C(O)C(O)CO.
What is the InChIKey of 3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
The InChIKey is MOFHWDCDDGPIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO8/c1-3-5(14)8(11)10(18,9(16)17)19-7(3)6(15)4(13)2-12/h3-8,12-15,18H,2H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid?
3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid has a molecular weight of 284.24 g/mol, XLogP of -2.79, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-dihydroxy-5-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid is sourced from PubChem (CID 91232282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).