(2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol

C7H12FN3O3 — CID 101128015

IUPAC(2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol
SMILESCO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](F)[C@@H]1O
InChIInChI=1S/C7H12FN3O3/c1-3-5(10-11-9)4(8)6(12)7(13-2)14-3/h3-7,12H,1-2H3/t3-,4+,5-,6+,7+/m1/s1
InChIKeySZYLCWNQKUHGQG-UOYQFSTFSA-N
MW205.19 g/mol
LogP0.76
Rot. Bonds2

About (2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol

(2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol (PubChem CID 101128015) has the molecular formula C7H12FN3O3 and a molecular weight of 205.19 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol
PubChem CID101128015
Molecular FormulaC7H12FN3O3
Molecular Weight205.19 g/mol
Exact Mass205.09
IUPAC Name(2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol
SMILESCO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](F)[C@@H]1O
InChIInChI=1S/C7H12FN3O3/c1-3-5(10-11-9)4(8)6(12)7(13-2)14-3/h3-7,12H,1-2H3/t3-,4+,5-,6+,7+/m1/s1
InChIKeySZYLCWNQKUHGQG-UOYQFSTFSA-N
XLogP0.76
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
CID 101338794
(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 165349660
[(2R,3R,4S,5R,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-yl] acetate
CID 23249240
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(2S,3S,4R)-3-azido-4-hydroxy-5-methoxy-N-methyloxolane-2-carboxamide
CID 155490214
(2S,3R,4R)-4-azido-2-[(1R)-1-hydroxyethyl]-5-methoxyoxolan-3-ol
CID 10058692
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
(3S,5S,6R)-6-[(3S,5S,6S)-5-azido-2-ethyl-6-methoxy-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
CID 118944847
(2S,3R,4R,5R,6R)-5-fluoro-4,6-dimethoxy-2-methyloxan-3-ol
CID 130757739
(2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 15949243
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol?
The IUPAC name of (2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol (CID 101128015) is (2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol?
The canonical SMILES for (2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol is CO[C@H]1O[C@H](C)[C@@H](N=[N+]=[N-])[C@H](F)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol?
The InChIKey is SZYLCWNQKUHGQG-UOYQFSTFSA-N. The full InChI is InChI=1S/C7H12FN3O3/c1-3-5(10-11-9)4(8)6(12)7(13-2)14-3/h3-7,12H,1-2H3/t3-,4+,5-,6+,7+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol?
(2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol has a molecular weight of 205.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-5-azido-4-fluoro-2-methoxy-6-methyloxan-3-ol is sourced from PubChem (CID 101128015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).