[(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone

C12H12F2O5 — CID 141214433

IUPAC[(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@]1(F)[C@H](O)[C@@H](CO)O[C@@]1(O)F
InChIInChI=1S/C12H12F2O5/c13-11(9(16)7-4-2-1-3-5-7)10(17)8(6-15)19-12(11,14)18/h1-5,8,10,15,17-18H,6H2/t8-,10-,11-,12-/m1/s1
InChIKeyDAMWNUIRTJMYSI-HJQYOEGKSA-N
MW274.22 g/mol
LogP-0.05
Rot. Bonds3

About [(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone

[(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone (PubChem CID 141214433) has the molecular formula C12H12F2O5 and a molecular weight of 274.22 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone
PubChem CID141214433
Molecular FormulaC12H12F2O5
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name[(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@]1(F)[C@H](O)[C@@H](CO)O[C@@]1(O)F
InChIInChI=1S/C12H12F2O5/c13-11(9(16)7-4-2-1-3-5-7)10(17)8(6-15)19-12(11,14)18/h1-5,8,10,15,17-18H,6H2/t8-,10-,11-,12-/m1/s1
InChIKeyDAMWNUIRTJMYSI-HJQYOEGKSA-N
XLogP-0.05
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone with MolForge

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Related Compounds

4-amino-1-[(2R,3S,4R,5R)-2-benzoyl-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 70004236
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-2-benzoyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl] thiohypofluorite
CID 87855304
phenyl-[(3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-3-phenylmethoxyoxan-2-yl]methanone
CID 151034583
1-[(2S,3S,4R,5R)-3-benzoyl-2-chloro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 168865223
[(2R,3R,4S,5S)-4,5-dibenzoyl-3,4,5-trihydroxy-2-(hydroxymethyl)oxolan-3-yl]-phenylmethanone
CID 164897096
phenyl-[(1S,2R,4S,5R)-2,3,4,5-tetrabenzoyl-1,2,3,4,5,6-hexahydroxycyclohexyl]methanone
CID 22848822
[(2S,3R,4S,5S,6R)-4-benzoyl-5-chloro-2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl] benzoate
CID 67553086
(2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone
CID 14343422
phenyl-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-[hydroxy-[(2S,3S,4S,5S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]oxan-3-yl]methanone
CID 57192938
[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone
CID 101254811
[(3R,4R,5S)-2,4-dibenzoyl-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone
CID 54260233
[(3S,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-2,3,4-trihydroxyoxolan-2-yl]-phenylmethanone
CID 143025956

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone?
The IUPAC name of [(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone (CID 141214433) is [(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone.
What is the SMILES notation for [(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone?
The canonical SMILES for [(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone is O=C(c1ccccc1)[C@@]1(F)[C@H](O)[C@@H](CO)O[C@@]1(O)F.
What is the InChIKey of [(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone?
The InChIKey is DAMWNUIRTJMYSI-HJQYOEGKSA-N. The full InChI is InChI=1S/C12H12F2O5/c13-11(9(16)7-4-2-1-3-5-7)10(17)8(6-15)19-12(11,14)18/h1-5,8,10,15,17-18H,6H2/t8-,10-,11-,12-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone?
[(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone has a molecular weight of 274.22 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-2,3-difluoro-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-phenylmethanone is sourced from PubChem (CID 141214433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).