azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid

C8H16FNO6 — CID 56664840

IUPACazane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
SMILESN.O=C(O)[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CF)O1
InChIInChI=1S/C8H13FO6.H3N/c9-2-4(11)7-6(12)3(10)1-5(15-7)8(13)14;/h3-7,10-12H,1-2H2,(H,13,14);1H3/t3-,4-,5+,6-,7-;/m1./s1
InChIKeyZXEIDXKSVUSELI-DEOAAGHXSA-N
MW241.21 g/mol
LogP-1.56
Rot. Bonds3

About azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid

azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid (PubChem CID 56664840) has the molecular formula C8H16FNO6 and a molecular weight of 241.21 g/mol. Its IUPAC name is azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Nameazane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
PubChem CID56664840
Molecular FormulaC8H16FNO6
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Nameazane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
SMILESN.O=C(O)[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CF)O1
InChIInChI=1S/C8H13FO6.H3N/c9-2-4(11)7-6(12)3(10)1-5(15-7)8(13)14;/h3-7,10-12H,1-2H2,(H,13,14);1H3/t3-,4-,5+,6-,7-;/m1./s1
InChIKeyZXEIDXKSVUSELI-DEOAAGHXSA-N
XLogP-1.56
TPSA142.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-1.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid?
The IUPAC name of azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid (CID 56664840) is azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid?
The canonical SMILES for azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid is N.O=C(O)[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CF)O1.
What is the InChIKey of azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid?
The InChIKey is ZXEIDXKSVUSELI-DEOAAGHXSA-N. The full InChI is InChI=1S/C8H13FO6.H3N/c9-2-4(11)7-6(12)3(10)1-5(15-7)8(13)14;/h3-7,10-12H,1-2H2,(H,13,14);1H3/t3-,4-,5+,6-,7-;/m1./s1.
What are the key properties of azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid?
azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid has a molecular weight of 241.21 g/mol, XLogP of -1.56, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 56664840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).