(2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol

C12H17FO7 — CID 123672439

IUPAC(2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1OC[C@H](O)[C@@H](O)[C@@]1(O)C(O)c1cocc1CF
InChIInChI=1S/C12H17FO7/c13-1-6-3-19-4-7(6)10(16)12(18)9(2-14)20-5-8(15)11(12)17/h3-4,8-11,14-18H,1-2,5H2/t8-,9+,10?,11+,12-/m0/s1
InChIKeyKASGYDKXVLTZMD-KZTBSTDQSA-N
MW292.26 g/mol
LogP-1.37
Rot. Bonds4

About (2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol

(2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 123672439) has the molecular formula C12H17FO7 and a molecular weight of 292.26 g/mol. Its IUPAC name is (2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID123672439
Molecular FormulaC12H17FO7
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name(2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1OC[C@H](O)[C@@H](O)[C@@]1(O)C(O)c1cocc1CF
InChIInChI=1S/C12H17FO7/c13-1-6-3-19-4-7(6)10(16)12(18)9(2-14)20-5-8(15)11(12)17/h3-4,8-11,14-18H,1-2,5H2/t8-,9+,10?,11+,12-/m0/s1
InChIKeyKASGYDKXVLTZMD-KZTBSTDQSA-N
XLogP-1.37
TPSA123.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 5-1.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol (CID 123672439) is (2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1OC[C@H](O)[C@@H](O)[C@@]1(O)C(O)c1cocc1CF.
What is the InChIKey of (2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is KASGYDKXVLTZMD-KZTBSTDQSA-N. The full InChI is InChI=1S/C12H17FO7/c13-1-6-3-19-4-7(6)10(16)12(18)9(2-14)20-5-8(15)11(12)17/h3-4,8-11,14-18H,1-2,5H2/t8-,9+,10?,11+,12-/m0/s1.
What are the key properties of (2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 292.26 g/mol, XLogP of -1.37, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-3-[[4-(fluoromethyl)furan-3-yl]-hydroxymethyl]-2-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 123672439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).