(3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol

C6H12FNO3 — CID 54168538

IUPAC(3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol
SMILESC[C@@H]1OC(O)[C@H](F)[C@H](O)[C@@H]1N
InChIInChI=1S/C6H12FNO3/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,9-10H,8H2,1H3/t2-,3+,4+,5-,6?/m0/s1
InChIKeyOTJJWUJQWBIGDD-DHVFOXMCSA-N
MW165.16 g/mol
LogP-1.25
Rot. Bonds

About (3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol

(3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol (PubChem CID 54168538) has the molecular formula C6H12FNO3 and a molecular weight of 165.16 g/mol. Its IUPAC name is (3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol.

Molecular Properties

Compound Name(3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol
PubChem CID54168538
Molecular FormulaC6H12FNO3
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol
SMILESC[C@@H]1OC(O)[C@H](F)[C@H](O)[C@@H]1N
InChIInChI=1S/C6H12FNO3/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,9-10H,8H2,1H3/t2-,3+,4+,5-,6?/m0/s1
InChIKeyOTJJWUJQWBIGDD-DHVFOXMCSA-N
XLogP-1.25
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol?
The IUPAC name of (3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol (CID 54168538) is (3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol.
What is the SMILES notation for (3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol?
The canonical SMILES for (3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol is C[C@@H]1OC(O)[C@H](F)[C@H](O)[C@@H]1N.
What is the InChIKey of (3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol?
The InChIKey is OTJJWUJQWBIGDD-DHVFOXMCSA-N. The full InChI is InChI=1S/C6H12FNO3/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,9-10H,8H2,1H3/t2-,3+,4+,5-,6?/m0/s1.
What are the key properties of (3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol?
(3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol has a molecular weight of 165.16 g/mol, XLogP of -1.25, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol is sourced from PubChem (CID 54168538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).