(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol

C6H11FO5 — CID 134824461

IUPAC(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol
SMILESOC[C@@H](O)[C@H]1O[C@H](O)[C@H]([18F])[C@H]1O
InChIInChI=1S/C6H11FO5/c7-3-4(10)5(2(9)1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1/i7-1
InChIKeyAMIGHNXEUMIDEB-AHXZWLDOSA-N
MW181.15 g/mol
LogP-2.24
Rot. Bonds2

About (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol

(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol (PubChem CID 134824461) has the molecular formula C6H11FO5 and a molecular weight of 181.15 g/mol. Its IUPAC name is (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol
PubChem CID134824461
Molecular FormulaC6H11FO5
Molecular Weight181.15 g/mol
Exact Mass181.06
IUPAC Name(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol
SMILESOC[C@@H](O)[C@H]1O[C@H](O)[C@H]([18F])[C@H]1O
InChIInChI=1S/C6H11FO5/c7-3-4(10)5(2(9)1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1/i7-1
InChIKeyAMIGHNXEUMIDEB-AHXZWLDOSA-N
XLogP-2.24
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol with MolForge

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Related Compounds

(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R,3R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 53249955
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119
(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 21120523
(2R,3S,4S,5S,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 25323127
(2S,3R,4R,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol
CID 134823873

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol?
The IUPAC name of (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol (CID 134824461) is (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol is OC[C@@H](O)[C@H]1O[C@H](O)[C@H]([18F])[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol?
The InChIKey is AMIGHNXEUMIDEB-AHXZWLDOSA-N. The full InChI is InChI=1S/C6H11FO5/c7-3-4(10)5(2(9)1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1/i7-1.
What are the key properties of (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol?
(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol has a molecular weight of 181.15 g/mol, XLogP of -2.24, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-3-(18F)fluorooxolane-2,4-diol is sourced from PubChem (CID 134824461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).