(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

C31H58F4O21 — CID 167601276

IUPAC(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
SMILESCC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O.C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1[18F].C[C@@H]1OC(O)[C@H](O)[C@H]([18F])[C@H]1O.C[C@@H]1OC(O)[C@H]([18F])[C@H](O)[C@H]1O.C[C@@H]1OC([18F])[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O5.4C6H11FO4/c1-2-3-4(8)5(9)6(10)7(11)12-3;1-2-4(8)5(9)3(7)6(10)11-2;1-2-4(8)3(7)5(9)6(10)11-2;1-2-3(8)4(9)5(10)6(7)11-2;1-2-3(7)4(8)5(9)6(10)11-2/h3-11H,2H2,1H3;4*2-6,8-10H,1H3/t3-,4-,5+,6+,7?;2-,3+,4-,5-,6?;2-,3+,4-,5+,6?;2*2-,3-,4+,5+,6?/m00000/s1/i;4*7-1
InChIKeyJTSIVVIINSOYOW-KGMOXXDBSA-N
MW838.79 g/mol
LogP-6.67
Rot. Bonds1

About (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

(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 (PubChem CID 167601276) has the molecular formula C31H58F4O21 and a molecular weight of 838.79 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167601276
Molecular FormulaC31H58F4O21
Molecular Weight838.79 g/mol
Exact Mass838.35
IUPAC Name(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
SMILESCC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O.C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1[18F].C[C@@H]1OC(O)[C@H](O)[C@H]([18F])[C@H]1O.C[C@@H]1OC(O)[C@H]([18F])[C@H](O)[C@H]1O.C[C@@H]1OC([18F])[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H14O5.4C6H11FO4/c1-2-3-4(8)5(9)6(10)7(11)12-3;1-2-4(8)5(9)3(7)6(10)11-2;1-2-4(8)3(7)5(9)6(10)11-2;1-2-3(8)4(9)5(10)6(7)11-2;1-2-3(7)4(8)5(9)6(10)11-2/h3-11H,2H2,1H3;4*2-6,8-10H,1H3/t3-,4-,5+,6+,7?;2-,3+,4-,5-,6?;2-,3+,4-,5+,6?;2*2-,3-,4+,5+,6?/m00000/s1/i;4*7-1
InChIKeyJTSIVVIINSOYOW-KGMOXXDBSA-N
XLogP-6.67
TPSA369.83 Ų
H-Bond Donors16
H-Bond Acceptors21
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500838.79
LogP ≤ 5-6.67
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1021

Analyze (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 with MolForge

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Related Compounds

(2R,4R,5R)-3-fluoro-6-methyloxane-2,4,5-triol
CID 172641894
(2R,5S)-6-ethyloxane-2,3,4,5-tetrol
CID 163614233
(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
CID 167601278
(2R,6S)-6-ethyloxane-2,3,4,5-tetrol
CID 138718011
(2S,3R,4S,5S,6R)-6-ethyloxane-2,3,4,5-tetrol
CID 58340219
(6R)-6-ethyloxane-2,3,4,5-tetrol
CID 59974126
(2R,3R,4R,5R,6S)-3-fluoro-6-methyloxane-2,4,5-triol
CID 23234519
(3R,4S,5R)-5-ethyloxolane-2,3,4-triol
CID 59169178
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O.C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1[18F].C[C@@H]1OC(O)[C@H](O)[C@H]([18F])[C@H]1O.C[C@@H]1OC(O)[C@H]([18F])[C@H](O)[C@H]1O.C[C@@H]1OC([18F])[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (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?
The InChIKey is JTSIVVIINSOYOW-KGMOXXDBSA-N. The full InChI is InChI=1S/C7H14O5.4C6H11FO4/c1-2-3-4(8)5(9)6(10)7(11)12-3;1-2-4(8)5(9)3(7)6(10)11-2;1-2-4(8)3(7)5(9)6(10)11-2;1-2-3(8)4(9)5(10)6(7)11-2;1-2-3(7)4(8)5(9)6(10)11-2/h3-11H,2H2,1H3;4*2-6,8-10H,1H3/t3-,4-,5+,6+,7?;2-,3+,4-,5-,6?;2-,3+,4-,5+,6?;2*2-,3-,4+,5+,6?/m00000/s1/i;4*7-1.
What are the key properties of (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?
(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 has a molecular weight of 838.79 g/mol, XLogP of -6.67, 1 rotatable bonds, 16 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167601276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).