(2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

C6H7FO5 — CID 140532604

IUPAC(2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](F)CO)C(O)=C1O
InChIInChI=1S/C6H7FO5/c7-2(1-8)5-3(9)4(10)6(11)12-5/h2,5,8-10H,1H2/t2-,5+/m0/s1
InChIKeyKPLDIQNHRDMQHF-JLAZNSOCSA-N
MW178.11 g/mol
LogP-0.43
Rot. Bonds2

About (2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

(2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 140532604) has the molecular formula C6H7FO5 and a molecular weight of 178.11 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID140532604
Molecular FormulaC6H7FO5
Molecular Weight178.11 g/mol
Exact Mass178.03
IUPAC Name(2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](F)CO)C(O)=C1O
InChIInChI=1S/C6H7FO5/c7-2(1-8)5-3(9)4(10)6(11)12-5/h2,5,8-10H,1H2/t2-,5+/m0/s1
InChIKeyKPLDIQNHRDMQHF-JLAZNSOCSA-N
XLogP-0.43
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 176549717
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54713594
CID 175868978
CID 175868978
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54719295
3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one
CID 54684743
trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride
CID 173003936
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;molecular chlorine
CID 141150592
(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid
CID 174800617
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;sulfuric acid
CID 66675533
antimony(3+);(2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;prop-2-yn-1-ol;trichloride
CID 173014999
CID 68731933
CID 68731933
tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate
CID 173001729

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of (2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (CID 140532604) is (2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is O=C1O[C@H]([C@@H](F)CO)C(O)=C1O.
What is the InChIKey of (2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is KPLDIQNHRDMQHF-JLAZNSOCSA-N. The full InChI is InChI=1S/C6H7FO5/c7-2(1-8)5-3(9)4(10)6(11)12-5/h2,5,8-10H,1H2/t2-,5+/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
(2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 178.11 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-fluoro-2-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 140532604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).