(2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol

C6H11BrFNO2 — CID 139771293

IUPAC(2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol
SMILESC[C@@H]1O[C@@H](Br)[C@H](F)[C@H](O)[C@@H]1N
InChIInChI=1S/C6H11BrFNO2/c1-2-4(9)5(10)3(8)6(7)11-2/h2-6,10H,9H2,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeyFWLAEIJARZTWJK-SXUWKVJYSA-N
MW228.06 g/mol
LogP0.15
Rot. Bonds

About (2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol

(2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol (PubChem CID 139771293) has the molecular formula C6H11BrFNO2 and a molecular weight of 228.06 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol
PubChem CID139771293
Molecular FormulaC6H11BrFNO2
Molecular Weight228.06 g/mol
Exact Mass227.00
IUPAC Name(2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol
SMILESC[C@@H]1O[C@@H](Br)[C@H](F)[C@H](O)[C@@H]1N
InChIInChI=1S/C6H11BrFNO2/c1-2-4(9)5(10)3(8)6(7)11-2/h2-6,10H,9H2,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeyFWLAEIJARZTWJK-SXUWKVJYSA-N
XLogP0.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol
CID 54168538
(3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol
CID 130992916
2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol
CID 59938448
(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol
CID 59078216
(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
CID 89232142
(2R,3R,4R,5R,6S)-3-fluoro-6-methyloxane-2,4,5-triol
CID 23234519
(2R,4R,5R)-3-fluoro-6-methyloxane-2,4,5-triol
CID 172641894
(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
CID 167601278
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 122537280
(2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol
CID 70191094
(2R,3S,5S)-3-bromo-6-methyloxane-2,4,5-triol
CID 91353742
N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 91851645

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol?
The IUPAC name of (2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol (CID 139771293) is (2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol.
What is the SMILES notation for (2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol?
The canonical SMILES for (2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol is C[C@@H]1O[C@@H](Br)[C@H](F)[C@H](O)[C@@H]1N.
What is the InChIKey of (2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol?
The InChIKey is FWLAEIJARZTWJK-SXUWKVJYSA-N. The full InChI is InChI=1S/C6H11BrFNO2/c1-2-4(9)5(10)3(8)6(7)11-2/h2-6,10H,9H2,1H3/t2-,3+,4+,5-,6+/m0/s1.
What are the key properties of (2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol?
(2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol has a molecular weight of 228.06 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol is sourced from PubChem (CID 139771293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).