(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol

C14H19FO5 — CID 15756112

IUPAC(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol
SMILESCO[C@]1(CO)OC[C@H](F)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H19FO5/c1-18-14(9-16)13(12(17)11(15)8-20-14)19-7-10-5-3-2-4-6-10/h2-6,11-13,16-17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1
InChIKeyBKENMOFTTPZQIK-RFQIPJPRSA-N
MW286.30 g/mol
LogP0.64
Rot. Bonds5

About (2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol

(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol (PubChem CID 15756112) has the molecular formula C14H19FO5 and a molecular weight of 286.30 g/mol. Its IUPAC name is (2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol
PubChem CID15756112
Molecular FormulaC14H19FO5
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol
SMILESCO[C@]1(CO)OC[C@H](F)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H19FO5/c1-18-14(9-16)13(12(17)11(15)8-20-14)19-7-10-5-3-2-4-6-10/h2-6,11-13,16-17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1
InChIKeyBKENMOFTTPZQIK-RFQIPJPRSA-N
XLogP0.64
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S,5R)-5-ethyl-5-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
CID 158000420
(2R,3S,4R,5S)-2-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
CID 101231917
[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-6-methoxy-3,5-dimethyl-4-phenylmethoxyoxan-2-yl]methanol
CID 132850641
[(2R,3R,4S,5S)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methanol
CID 18647750
(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 131019383
(3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol
CID 15489662
(3R,4S,5R,6R)-2,2-bis(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 10804143
(3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 122386595
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
CID 14052144
(1S,4R,5S,7S)-1-ethyl-7-phenylmethoxy-2-oxabicyclo[2.2.1]heptan-5-ol
CID 158067910

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol?
The IUPAC name of (2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol (CID 15756112) is (2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol.
What is the SMILES notation for (2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol?
The canonical SMILES for (2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol is CO[C@]1(CO)OC[C@H](F)[C@@H](O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol?
The InChIKey is BKENMOFTTPZQIK-RFQIPJPRSA-N. The full InChI is InChI=1S/C14H19FO5/c1-18-14(9-16)13(12(17)11(15)8-20-14)19-7-10-5-3-2-4-6-10/h2-6,11-13,16-17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1.
What are the key properties of (2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol?
(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol has a molecular weight of 286.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol is sourced from PubChem (CID 15756112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).