(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol

C6H11FO4 — CID 167601278

IUPAC(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
SMILESC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1[18F]
InChIInChI=1S/C6H11FO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,1H3/t2-,3-,4+,5+,6?/m0/s1/i7-1
InChIKeyWYJQFSIUPWIAEE-FIKFZFECSA-N
MW165.15 g/mol
LogP-1.22
Rot. Bonds

About (3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol

(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol (PubChem CID 167601278) has the molecular formula C6H11FO4 and a molecular weight of 165.15 g/mol. Its IUPAC name is (3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
PubChem CID167601278
Molecular FormulaC6H11FO4
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Name(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
SMILESC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1[18F]
InChIInChI=1S/C6H11FO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,1H3/t2-,3-,4+,5+,6?/m0/s1/i7-1
InChIKeyWYJQFSIUPWIAEE-FIKFZFECSA-N
XLogP-1.22
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
CID 171369816
CID 171369816
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58758262
(2R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 126576554
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148
(3R,4R,5R,6S)-6-ethyloxane-2,3,4,5-tetrol;(3R,4R,5R,6S)-2-(18F)fluoro-6-methyloxane-3,4,5-triol;(3R,4R,5R,6S)-3-(18F)fluoro-6-methyloxane-2,4,5-triol;(3S,4R,5S,6S)-4-(18F)fluoro-6-methyloxane-2,3,5-triol;(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
CID 167601276

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol?
The IUPAC name of (3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol (CID 167601278) is (3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol.
What is the SMILES notation for (3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol?
The canonical SMILES for (3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol is C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1[18F].
What is the InChIKey of (3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol?
The InChIKey is WYJQFSIUPWIAEE-FIKFZFECSA-N. The full InChI is InChI=1S/C6H11FO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,1H3/t2-,3-,4+,5+,6?/m0/s1/i7-1.
What are the key properties of (3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol?
(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol has a molecular weight of 165.15 g/mol, XLogP of -1.22, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol is sourced from PubChem (CID 167601278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).