(2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol

C13H16F2O4 — CID 10540244

IUPAC(2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol
SMILESC[C@@H]1O[C@@H](OCc2ccccc2)C(F)(F)[C@H](O)[C@H]1O
InChIInChI=1S/C13H16F2O4/c1-8-10(16)11(17)13(14,15)12(19-8)18-7-9-5-3-2-4-6-9/h2-6,8,10-12,16-17H,7H2,1H3/t8-,10-,11+,12+/m0/s1
InChIKeyKPTQGQYMWOWZLY-OHBODLIOSA-N
MW274.26 g/mol
LogP1.31
Rot. Bonds3

About (2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol

(2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol (PubChem CID 10540244) has the molecular formula C13H16F2O4 and a molecular weight of 274.26 g/mol. Its IUPAC name is (2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol
PubChem CID10540244
Molecular FormulaC13H16F2O4
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Name(2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol
SMILESC[C@@H]1O[C@@H](OCc2ccccc2)C(F)(F)[C@H](O)[C@H]1O
InChIInChI=1S/C13H16F2O4/c1-8-10(16)11(17)13(14,15)12(19-8)18-7-9-5-3-2-4-6-9/h2-6,8,10-12,16-17H,7H2,1H3/t8-,10-,11+,12+/m0/s1
InChIKeyKPTQGQYMWOWZLY-OHBODLIOSA-N
XLogP1.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol with MolForge

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Related Compounds

(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
CID 102303729
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
2,2,5-trimethyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6-ol
CID 123659975
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
CID 14052144
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
6-methyl-2-phenyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 18534442
(2R,3S,4S,5S,6S)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995015
(2R,3R,4S,5S,6S)-2-methyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995019
6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol
CID 163040985
(2R,3S,6S)-2-methyl-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 102291658

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol?
The IUPAC name of (2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol (CID 10540244) is (2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol?
The canonical SMILES for (2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol is C[C@@H]1O[C@@H](OCc2ccccc2)C(F)(F)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol?
The InChIKey is KPTQGQYMWOWZLY-OHBODLIOSA-N. The full InChI is InChI=1S/C13H16F2O4/c1-8-10(16)11(17)13(14,15)12(19-8)18-7-9-5-3-2-4-6-9/h2-6,8,10-12,16-17H,7H2,1H3/t8-,10-,11+,12+/m0/s1.
What are the key properties of (2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol?
(2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol has a molecular weight of 274.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6R)-5,5-difluoro-2-methyl-6-phenylmethoxyoxane-3,4-diol is sourced from PubChem (CID 10540244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).