(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol

C7H13FO4 — CID 68979706

IUPAC(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol
SMILESCOC1OC(CO)C(O)[C@@]1(C)F
InChIInChI=1S/C7H13FO4/c1-7(8)5(10)4(3-9)12-6(7)11-2/h4-6,9-10H,3H2,1-2H3/t4?,5?,6?,7-/m1/s1
InChIKeySSGQJSREXILTNE-MXFXWPKCSA-N
MW180.17 g/mol
LogP-0.56
Rot. Bonds2

About (4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol

(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol (PubChem CID 68979706) has the molecular formula C7H13FO4 and a molecular weight of 180.17 g/mol. Its IUPAC name is (4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol.

Molecular Properties

Compound Name(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol
PubChem CID68979706
Molecular FormulaC7H13FO4
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol
SMILESCOC1OC(CO)C(O)[C@@]1(C)F
InChIInChI=1S/C7H13FO4/c1-7(8)5(10)4(3-9)12-6(7)11-2/h4-6,9-10H,3H2,1-2H3/t4?,5?,6?,7-/m1/s1
InChIKeySSGQJSREXILTNE-MXFXWPKCSA-N
XLogP-0.56
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-3,4-dimethyloxane-3,4,5-triol
CID 22887228
(2R,3R)-4,4-difluoro-2-(hydroxymethyl)-5-tri(propan-2-yl)silyloxyoxolan-3-ol
CID 71602128
[(3aR,6R,6aR)-4-methoxy-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methanol
CID 71229435
(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
[3-bromo-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] 4-methoxybenzoate
CID 134522291
CID 87157763
CID 87157763
(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol
CID 131865258
(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol
CID 175505706
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
(2S,3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 59796320
(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 58959143
4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 58855695

Frequently Asked Questions

What is the IUPAC name of (4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol?
The IUPAC name of (4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol (CID 68979706) is (4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol.
What is the SMILES notation for (4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol?
The canonical SMILES for (4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol is COC1OC(CO)C(O)[C@@]1(C)F.
What is the InChIKey of (4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol?
The InChIKey is SSGQJSREXILTNE-MXFXWPKCSA-N. The full InChI is InChI=1S/C7H13FO4/c1-7(8)5(10)4(3-9)12-6(7)11-2/h4-6,9-10H,3H2,1-2H3/t4?,5?,6?,7-/m1/s1.
What are the key properties of (4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol?
(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol has a molecular weight of 180.17 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol is sourced from PubChem (CID 68979706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).