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

C14H20FNO5 — CID 141165725

IUPAC(2S,3R,4R,5S,6R)-2-[1-amino-2-(2-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC(Cc1ccccc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H20FNO5/c15-8-4-2-1-3-7(8)5-9(16)14-13(20)12(19)11(18)10(6-17)21-14/h1-4,9-14,17-20H,5-6,16H2/t9?,10-,11-,12+,13-,14+/m1/s1
InChIKeyQHCWGZXTWLRYMC-IZVWSYFDSA-N
MW301.31 g/mol
LogP-1.46
Rot. Bonds4

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

(2S,3R,4R,5S,6R)-2-[1-amino-2-(2-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 141165725) has the molecular formula C14H20FNO5 and a molecular weight of 301.31 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-[1-amino-2-(2-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-[1-amino-2-(2-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID141165725
Molecular FormulaC14H20FNO5
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name(2S,3R,4R,5S,6R)-2-[1-amino-2-(2-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC(Cc1ccccc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H20FNO5/c15-8-4-2-1-3-7(8)5-9(16)14-13(20)12(19)11(18)10(6-17)21-14/h1-4,9-14,17-20H,5-6,16H2/t9?,10-,11-,12+,13-,14+/m1/s1
InChIKeyQHCWGZXTWLRYMC-IZVWSYFDSA-N
XLogP-1.46
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-1.46
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-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-[1-amino-2-(2-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 141165725) is (2S,3R,4R,5S,6R)-2-[1-amino-2-(2-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-[1-amino-2-(2-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-[1-amino-2-(2-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is NC(Cc1ccccc1F)[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-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is QHCWGZXTWLRYMC-IZVWSYFDSA-N. The full InChI is InChI=1S/C14H20FNO5/c15-8-4-2-1-3-7(8)5-9(16)14-13(20)12(19)11(18)10(6-17)21-14/h1-4,9-14,17-20H,5-6,16H2/t9?,10-,11-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-[1-amino-2-(2-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4R,5S,6R)-2-[1-amino-2-(2-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 301.31 g/mol, XLogP of -1.46, 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-fluorophenyl)ethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 141165725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).