(5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol

C6H11FO5 — CID 159037991

IUPAC(5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol
SMILESOC1C(O)C(O)[C@H](O)C([18F])C1O
InChIInChI=1S/C6H11FO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H/t1?,2-,3?,4?,5?,6?/m1/s1/i7-1
InChIKeyPDTJJYSBSOKEOY-NZXBPPLOSA-N
MW181.15 g/mol
LogP-2.86
Rot. Bonds

About (5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol

(5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol (PubChem CID 159037991) has the molecular formula C6H11FO5 and a molecular weight of 181.15 g/mol. Its IUPAC name is (5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol
PubChem CID159037991
Molecular FormulaC6H11FO5
Molecular Weight181.15 g/mol
Exact Mass181.06
IUPAC Name(5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol
SMILESOC1C(O)C(O)[C@H](O)C([18F])C1O
InChIInChI=1S/C6H11FO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H/t1?,2-,3?,4?,5?,6?/m1/s1/i7-1
InChIKeyPDTJJYSBSOKEOY-NZXBPPLOSA-N
XLogP-2.86
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-2.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol
CID 73352744
2-[(3R,6R)-2-fluoro-3,4,5,6-tetrahydroxycyclohexyl]ethylphosphonous acid
CID 167491430
(1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol
CID 142537536
(2R,3R,4R,5R,6S)-3-fluoro-6-methyloxane-2,4,5-triol
CID 23234519
(3R,4S,5R,6S)-5-(18F)fluoro-6-methyloxane-2,3,4-triol
CID 167601278
(2R,4R,5R)-3-fluoro-6-methyloxane-2,4,5-triol
CID 172641894
(2R,3R,4R,5S,6S)-5-fluoro-6-(hydroxymethyl)oxane-2,3,4-triol
CID 51398012
1,2,3-trifluorocyclopropane
CID 71344846
(3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol
CID 55219287
(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 25173432
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 5288324
(1S,2S,3S,5R)-3,5-diamino-2-fluorocyclopentan-1-ol
CID 102050550

Frequently Asked Questions

What is the IUPAC name of (5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol?
The IUPAC name of (5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol (CID 159037991) is (5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol.
What is the SMILES notation for (5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol?
The canonical SMILES for (5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol is OC1C(O)C(O)[C@H](O)C([18F])C1O.
What is the InChIKey of (5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol?
The InChIKey is PDTJJYSBSOKEOY-NZXBPPLOSA-N. The full InChI is InChI=1S/C6H11FO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H/t1?,2-,3?,4?,5?,6?/m1/s1/i7-1.
What are the key properties of (5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol?
(5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol has a molecular weight of 181.15 g/mol, XLogP of -2.86, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol is sourced from PubChem (CID 159037991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).