(2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol

C9H15FO5 — CID 140533243

IUPAC(2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol
SMILESCC(C)=C(O)[C@@H](O)[C@H]1OC(F)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H15FO5/c1-3(2)4(11)5(12)8-6(13)7(14)9(10)15-8/h5-9,11-14H,1-2H3/t5-,6-,7+,8-,9?/m1/s1
InChIKeyJXPVNIOORPJBNE-LOFWALOHSA-N
MW222.21 g/mol
LogP-0.38
Rot. Bonds2

About (2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol

(2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol (PubChem CID 140533243) has the molecular formula C9H15FO5 and a molecular weight of 222.21 g/mol. Its IUPAC name is (2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol
PubChem CID140533243
Molecular FormulaC9H15FO5
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name(2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol
SMILESCC(C)=C(O)[C@@H](O)[C@H]1OC(F)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H15FO5/c1-3(2)4(11)5(12)8-6(13)7(14)9(10)15-8/h5-9,11-14H,1-2H3/t5-,6-,7+,8-,9?/m1/s1
InChIKeyJXPVNIOORPJBNE-LOFWALOHSA-N
XLogP-0.38
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol?
The IUPAC name of (2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol (CID 140533243) is (2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol is CC(C)=C(O)[C@@H](O)[C@H]1OC(F)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol?
The InChIKey is JXPVNIOORPJBNE-LOFWALOHSA-N. The full InChI is InChI=1S/C9H15FO5/c1-3(2)4(11)5(12)8-6(13)7(14)9(10)15-8/h5-9,11-14H,1-2H3/t5-,6-,7+,8-,9?/m1/s1.
What are the key properties of (2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol?
(2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol has a molecular weight of 222.21 g/mol, XLogP of -0.38, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2-[(1S)-1,2-dihydroxy-3-methylbut-2-enyl]-5-fluorooxolane-3,4-diol is sourced from PubChem (CID 140533243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).