(2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol

C7H13FO5 — CID 15949243

IUPAC(2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
SMILESCOC1O[C@H](CO)[C@@H](O)[C@H]([18F])[C@@H]1O
InChIInChI=1S/C7H13FO5/c1-12-7-6(11)4(8)5(10)3(2-9)13-7/h3-7,9-11H,2H2,1H3/t3-,4+,5-,6+,7?/m1/s1/i8-1
InChIKeyCCAXOPTXMDCKMO-NUDRKZMLSA-N
MW195.18 g/mol
LogP-1.59
Rot. Bonds2

About (2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol

(2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol (PubChem CID 15949243) has the molecular formula C7H13FO5 and a molecular weight of 195.18 g/mol. Its IUPAC name is (2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
PubChem CID15949243
Molecular FormulaC7H13FO5
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name(2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
SMILESCOC1O[C@H](CO)[C@@H](O)[C@H]([18F])[C@@H]1O
InChIInChI=1S/C7H13FO5/c1-12-7-6(11)4(8)5(10)3(2-9)13-7/h3-7,9-11H,2H2,1H3/t3-,4+,5-,6+,7?/m1/s1/i8-1
InChIKeyCCAXOPTXMDCKMO-NUDRKZMLSA-N
XLogP-1.59
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(3S,4S,5R)-5-ethyl-4-fluoro-2-methoxyoxolan-3-ol
CID 158893262

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The IUPAC name of (2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol (CID 15949243) is (2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol.
What is the SMILES notation for (2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The canonical SMILES for (2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol is COC1O[C@H](CO)[C@@H](O)[C@H]([18F])[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
The InChIKey is CCAXOPTXMDCKMO-NUDRKZMLSA-N. The full InChI is InChI=1S/C7H13FO5/c1-12-7-6(11)4(8)5(10)3(2-9)13-7/h3-7,9-11H,2H2,1H3/t3-,4+,5-,6+,7?/m1/s1/i8-1.
What are the key properties of (2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol?
(2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol has a molecular weight of 195.18 g/mol, XLogP of -1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol is sourced from PubChem (CID 15949243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).