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

C6H12FNO3 — CID 130992916

IUPAC(3S,4R,5S,6R)-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?/m1/s1
InChIKeyOTJJWUJQWBIGDD-YIDFTEPTSA-N
MW165.16 g/mol
LogP-1.25
Rot. Bonds

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

(3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol (PubChem CID 130992916) has the molecular formula C6H12FNO3 and a molecular weight of 165.16 g/mol. Its IUPAC name is (3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol.

Molecular Properties

Compound Name(3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol
PubChem CID130992916
Molecular FormulaC6H12FNO3
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(3S,4R,5S,6R)-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?/m1/s1
InChIKeyOTJJWUJQWBIGDD-YIDFTEPTSA-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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Related Compounds

(3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol
CID 54168538
(2S,3R,4R,5S,6S)-5-amino-2-bromo-3-fluoro-6-methyloxan-4-ol
CID 139771293
(2R,4R,5R)-3-fluoro-6-methyloxane-2,4,5-triol
CID 172641894
(2R,3R,4R,5R,6S)-3-fluoro-6-methyloxane-2,4,5-triol
CID 23234519
(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol
CID 59078216
(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
CID 167601278
(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
CID 89232142
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 122537280
N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 91851645
(2S,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-5-fluorooxane-2,4-diol
CID 156619017
(2S,3R,4S,5S,6R)-5-amino-3-fluoro-2-(2-hydroxynaphthalen-1-yl)oxy-6-methyloxan-4-ol
CID 70191094
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol?
The IUPAC name of (3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol (CID 130992916) is (3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol.
What is the SMILES notation for (3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol?
The canonical SMILES for (3S,4R,5S,6R)-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 (3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol?
The InChIKey is OTJJWUJQWBIGDD-YIDFTEPTSA-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?/m1/s1.
What are the key properties of (3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol?
(3S,4R,5S,6R)-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 (3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol is sourced from PubChem (CID 130992916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).