(4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one

C6H9FO5 — CID 91410550

IUPAC(4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one
SMILESO=C1O[C@H](CO)[C@@H](F)[C@H](O)C1O
InChIInChI=1S/C6H9FO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-5,8-10H,1H2/t2-,3-,4+,5?/m1/s1
InChIKeyUEEJBPMSPOMBEZ-ZRMNMSDTSA-N
MW180.13 g/mol
LogP-2.04
Rot. Bonds1

About (4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one

(4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one (PubChem CID 91410550) has the molecular formula C6H9FO5 and a molecular weight of 180.13 g/mol. Its IUPAC name is (4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one.

Molecular Properties

Compound Name(4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one
PubChem CID91410550
Molecular FormulaC6H9FO5
Molecular Weight180.13 g/mol
Exact Mass180.04
IUPAC Name(4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one
SMILESO=C1O[C@H](CO)[C@@H](F)[C@H](O)C1O
InChIInChI=1S/C6H9FO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-5,8-10H,1H2/t2-,3-,4+,5?/m1/s1
InChIKeyUEEJBPMSPOMBEZ-ZRMNMSDTSA-N
XLogP-2.04
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
(3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-nitrooxan-2-one
CID 163550929
(3S,4R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-one
CID 143531523
(4S)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-one
CID 143150589
sodium;dihydrogen phosphate;(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 23665288
(3R,4S,5S,6R)-6-[deuterio(hydroxy)methyl]-3,4,5-trihydroxyoxan-2-one
CID 175929927
5-(bromomethyl)-3,4-dihydroxyoxolan-2-one
CID 75089328
(3R,4R,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-one
CID 55298554
(3S,4S,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-one
CID 55298555
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
6-ethyl-3,4,5-trihydroxyoxan-2-one
CID 123675946
(3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one
CID 130863136

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one?
The IUPAC name of (4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one (CID 91410550) is (4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one.
What is the SMILES notation for (4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one?
The canonical SMILES for (4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one is O=C1O[C@H](CO)[C@@H](F)[C@H](O)C1O.
What is the InChIKey of (4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one?
The InChIKey is UEEJBPMSPOMBEZ-ZRMNMSDTSA-N. The full InChI is InChI=1S/C6H9FO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-5,8-10H,1H2/t2-,3-,4+,5?/m1/s1.
What are the key properties of (4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one?
(4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one has a molecular weight of 180.13 g/mol, XLogP of -2.04, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one is sourced from PubChem (CID 91410550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).