(2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol

C14H20FNO5 — CID 11500417

IUPAC(2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](NCc2ccc(F)cc2)[C@@H]1O
InChIInChI=1S/C14H20FNO5/c1-20-14-13(19)11(12(18)10(7-17)21-14)16-6-8-2-4-9(15)5-3-8/h2-5,10-14,16-19H,6-7H2,1H3/t10-,11-,12-,13+,14+/m1/s1
InChIKeyUDRDOVPHROGFKI-POQQGIQPSA-N
MW301.31 g/mol
LogP-0.63
Rot. Bonds5

About (2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol

(2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol (PubChem CID 11500417) has the molecular formula C14H20FNO5 and a molecular weight of 301.31 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
PubChem CID11500417
Molecular FormulaC14H20FNO5
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name(2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](NCc2ccc(F)cc2)[C@@H]1O
InChIInChI=1S/C14H20FNO5/c1-20-14-13(19)11(12(18)10(7-17)21-14)16-6-8-2-4-9(15)5-3-8/h2-5,10-14,16-19H,6-7H2,1H3/t10-,11-,12-,13+,14+/m1/s1
InChIKeyUDRDOVPHROGFKI-POQQGIQPSA-N
XLogP-0.63
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol with MolForge

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Related Compounds

(2S,3S,4R,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
CID 28961297
(5RS,6SR)-2,2-dimethyl-6-{[(1S)-1-phenylethyl]amino}-1,3-dioxepan-5-ol
CID 58158434
1-Benzylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b
CID 516652
(1S,2S,3S,4R,5R)-2-[(4-fluorophenyl)methylamino]-4-(2-methoxyethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25314712
(2R,3S,4S,5R)-2-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585224
(2R,3S,4S,5R)-2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585241
(2R,3S,4S,5R)-2-[[(2-fluorophenyl)methylamino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585384
(2R,3S,4S,5R)-2-[[(4-fluorophenyl)methylamino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585385
(2R,3S,4S,5R)-2-[[(3-fluorophenyl)methylamino]methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585398
(2S,3R,4R,5S,6R)-2-[(benzylamino)methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71770444
(2S,3R,4R,5S,6R)-2-[[(4-fluorophenyl)methylamino]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71770447
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methylanilino)oxane-3,5-diol
CID 155510720

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The IUPAC name of (2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol (CID 11500417) is (2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol.
What is the SMILES notation for (2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The canonical SMILES for (2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol is CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](NCc2ccc(F)cc2)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The InChIKey is UDRDOVPHROGFKI-POQQGIQPSA-N. The full InChI is InChI=1S/C14H20FNO5/c1-20-14-13(19)11(12(18)10(7-17)21-14)16-6-8-2-4-9(15)5-3-8/h2-5,10-14,16-19H,6-7H2,1H3/t10-,11-,12-,13+,14+/m1/s1.
What are the key properties of (2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
(2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol has a molecular weight of 301.31 g/mol, XLogP of -0.63, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-4-[(4-fluorophenyl)methylamino]-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol is sourced from PubChem (CID 11500417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).