(2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol

C12H15FO4 — CID 145143909

IUPAC(2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15FO4/c1-6-9(14)11(16)12(17-6)10(15)7-2-4-8(13)5-3-7/h2-6,9-12,14-16H,1H3/t6-,9-,10+,11-,12+/m0/s1
InChIKeyNQDAFNZVJZUKBB-JYKCKQTKSA-N
MW242.25 g/mol
LogP0.37
Rot. Bonds2

About (2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol

(2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol (PubChem CID 145143909) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol
PubChem CID145143909
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name(2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15FO4/c1-6-9(14)11(16)12(17-6)10(15)7-2-4-8(13)5-3-7/h2-6,9-12,14-16H,1H3/t6-,9-,10+,11-,12+/m0/s1
InChIKeyNQDAFNZVJZUKBB-JYKCKQTKSA-N
XLogP0.37
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4R,5S)-2-[(R)-hydroxy-(4-methylsulfonylphenyl)methyl]-5-methyloxolane-3,4-diol
CID 145143943
(3aR,5S,6S,6aR)-5-[(S)-(4-fluorophenyl)-hydroxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 102034504
2-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol
CID 122496862
(2R,3R,4S,5R)-2-(2-amino-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolane-3,4-diol
CID 122482648
4,6-dimethyl-5-[(Z)-prop-1-enyl]pyrimidine;2-[hydroxy-(2-methyl-4-pyridinyl)methyl]-5-methyloxolane-3,4-diol
CID 145144075
(2S,3S,4S)-2-(dichloromethyl)-5-methyloxolane-3,4-diol
CID 57102667
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
CID 118332800
[5-(2,4-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dimethyloxolan-2-yl]-(4-fluorophenyl)methanol
CID 122522349
(2R,3S,4R,5R)-2-[(S)-(3-chlorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3,5-difluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-(3-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-(4-methylpyrrolo[2,3-b]pyridin-1-yl)oxolane-3,4-diol
CID 157268279
(1S)-1-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]ethanol
CID 132564473
(3-ethyl-1,4-dithian-2-yl)-(4-fluorophenyl)methanol
CID 115386459
(2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one
CID 50917706

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol (CID 145143909) is (2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol is C[C@@H]1O[C@H]([C@H](O)c2ccc(F)cc2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol?
The InChIKey is NQDAFNZVJZUKBB-JYKCKQTKSA-N. The full InChI is InChI=1S/C12H15FO4/c1-6-9(14)11(16)12(17-6)10(15)7-2-4-8(13)5-3-7/h2-6,9-12,14-16H,1H3/t6-,9-,10+,11-,12+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol?
(2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol has a molecular weight of 242.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 145143909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).