(2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid

C10H16F2O6 — CID 129232877

IUPAC(2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid
SMILESCC1C(C[C@H](O)CO)O[C@@](F)(C(=O)O)C(F)C1O
InChIInChI=1S/C10H16F2O6/c1-4-6(2-5(14)3-13)18-10(12,9(16)17)8(11)7(4)15/h4-8,13-15H,2-3H2,1H3,(H,16,17)/t4?,5-,6?,7?,8?,10+/m0/s1
InChIKeyAGJUAEMAPBWLPC-UARQGLHASA-N
MW270.23 g/mol
LogP-0.79
Rot. Bonds4

About (2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid

(2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid (PubChem CID 129232877) has the molecular formula C10H16F2O6 and a molecular weight of 270.23 g/mol. Its IUPAC name is (2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid
PubChem CID129232877
Molecular FormulaC10H16F2O6
Molecular Weight270.23 g/mol
Exact Mass270.09
IUPAC Name(2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid
SMILESCC1C(C[C@H](O)CO)O[C@@](F)(C(=O)O)C(F)C1O
InChIInChI=1S/C10H16F2O6/c1-4-6(2-5(14)3-13)18-10(12,9(16)17)8(11)7(4)15/h4-8,13-15H,2-3H2,1H3,(H,16,17)/t4?,5-,6?,7?,8?,10+/m0/s1
InChIKeyAGJUAEMAPBWLPC-UARQGLHASA-N
XLogP-0.79
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid?
The IUPAC name of (2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid (CID 129232877) is (2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid.
What is the SMILES notation for (2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid?
The canonical SMILES for (2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid is CC1C(C[C@H](O)CO)O[C@@](F)(C(=O)O)C(F)C1O.
What is the InChIKey of (2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid?
The InChIKey is AGJUAEMAPBWLPC-UARQGLHASA-N. The full InChI is InChI=1S/C10H16F2O6/c1-4-6(2-5(14)3-13)18-10(12,9(16)17)8(11)7(4)15/h4-8,13-15H,2-3H2,1H3,(H,16,17)/t4?,5-,6?,7?,8?,10+/m0/s1.
What are the key properties of (2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid?
(2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid has a molecular weight of 270.23 g/mol, XLogP of -0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid is sourced from PubChem (CID 129232877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).