(2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H19F2NO5 — CID 141165739

IUPAC(2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC(Cc1ccc(F)cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H19F2NO5/c15-7-2-1-6(8(16)4-7)3-9(17)14-13(21)12(20)11(19)10(5-18)22-14/h1-2,4,9-14,18-21H,3,5,17H2/t9?,10-,11-,12+,13-,14+/m1/s1
InChIKeyFRLJLFMILRAYBH-IZVWSYFDSA-N
MW319.30 g/mol
LogP-1.32
Rot. Bonds4

About (2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 141165739) has the molecular formula C14H19F2NO5 and a molecular weight of 319.30 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID141165739
Molecular FormulaC14H19F2NO5
Molecular Weight319.30 g/mol
Exact Mass319.12
IUPAC Name(2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC(Cc1ccc(F)cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H19F2NO5/c15-7-2-1-6(8(16)4-7)3-9(17)14-13(21)12(20)11(19)10(5-18)22-14/h1-2,4,9-14,18-21H,3,5,17H2/t9?,10-,11-,12+,13-,14+/m1/s1
InChIKeyFRLJLFMILRAYBH-IZVWSYFDSA-N
XLogP-1.32
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 141165739) is (2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is NC(Cc1ccc(F)cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is FRLJLFMILRAYBH-IZVWSYFDSA-N. The full InChI is InChI=1S/C14H19F2NO5/c15-7-2-1-6(8(16)4-7)3-9(17)14-13(21)12(20)11(19)10(5-18)22-14/h1-2,4,9-14,18-21H,3,5,17H2/t9?,10-,11-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 319.30 g/mol, XLogP of -1.32, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-[1-amino-2-(2,4-difluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 141165739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).