ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate

C7H13FO5 — CID 131864124

IUPACethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate
SMILESCCOC(=O)[C@H](F)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H13FO5/c1-2-13-7(12)5(8)6(11)4(10)3-9/h4-6,9-11H,2-3H2,1H3/t4-,5-,6-/m1/s1
InChIKeyVMGITMDJUDAQNX-HSUXUTPPSA-N
MW196.17 g/mol
LogP-1.40
Rot. Bonds5

About ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate

ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate (PubChem CID 131864124) has the molecular formula C7H13FO5 and a molecular weight of 196.17 g/mol. Its IUPAC name is ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate.

Molecular Properties

Compound Nameethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate
PubChem CID131864124
Molecular FormulaC7H13FO5
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Nameethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate
SMILESCCOC(=O)[C@H](F)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H13FO5/c1-2-13-7(12)5(8)6(11)4(10)3-9/h4-6,9-11H,2-3H2,1H3/t4-,5-,6-/m1/s1
InChIKeyVMGITMDJUDAQNX-HSUXUTPPSA-N
XLogP-1.40
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218813
ethyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218815
ethyl (2R,3R,4R,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 54186591
ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate
CID 97048138
ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate
CID 118665846
ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
CID 79367296
ethyl 2,3,5-trifluoropentanoate
CID 174529809
diethyl (2S,3S)-2,3-bis(hydroxymethyl)butanedioate
CID 134885080
ethyl 2-bromo-2-hydroxyacetate
CID 57173380
ethyl 2-fluoro-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]butanoate
CID 103859840
ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate
CID 143803967

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate?
The IUPAC name of ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate (CID 131864124) is ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate.
What is the SMILES notation for ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate?
The canonical SMILES for ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate is CCOC(=O)[C@H](F)[C@H](O)[C@H](O)CO.
What is the InChIKey of ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate?
The InChIKey is VMGITMDJUDAQNX-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H13FO5/c1-2-13-7(12)5(8)6(11)4(10)3-9/h4-6,9-11H,2-3H2,1H3/t4-,5-,6-/m1/s1.
What are the key properties of ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate?
ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate has a molecular weight of 196.17 g/mol, XLogP of -1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate is sourced from PubChem (CID 131864124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).