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

C5H9FO4 — CID 71475417

IUPAC(3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol
SMILESOC[C@H]1OC(O)[C@H](O)[C@@H]1[18F]
InChIInChI=1S/C5H9FO4/c6-3-2(1-7)10-5(9)4(3)8/h2-5,7-9H,1H2/t2-,3-,4-,5?/m1/s1/i6-1
InChIKeyNZBLAOXQXYQYNW-YERBMNRYSA-N
MW151.12 g/mol
LogP-1.61
Rot. Bonds1

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

(3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol (PubChem CID 71475417) has the molecular formula C5H9FO4 and a molecular weight of 151.12 g/mol. Its IUPAC name is (3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol.

Molecular Properties

Compound Name(3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol
PubChem CID71475417
Molecular FormulaC5H9FO4
Molecular Weight151.12 g/mol
Exact Mass151.05
IUPAC Name(3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol
SMILESOC[C@H]1OC(O)[C@H](O)[C@@H]1[18F]
InChIInChI=1S/C5H9FO4/c6-3-2(1-7)10-5(9)4(3)8/h2-5,7-9H,1H2/t2-,3-,4-,5?/m1/s1/i6-1
InChIKeyNZBLAOXQXYQYNW-YERBMNRYSA-N
XLogP-1.61
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol
CID 66649258
(2R,3R,4R,5S,6S)-5-fluoro-6-(hydroxymethyl)oxane-2,3,4-triol
CID 51398012
(2S,3S,4S,5R,6R)-3,4,5-trifluoro-6-(hydroxymethyl)oxan-2-ol
CID 130763832
(2R,3S,4R,5R)-3-fluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 18665788
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 5288324
(2S,3R,4S,5S)-3-(18F)fluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 25173432
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 89292161
(3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol
CID 55219287
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
N-[(3R,4R,5S,6R)-5-fluoro-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 10466144

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol?
The IUPAC name of (3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol (CID 71475417) is (3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol.
What is the SMILES notation for (3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol?
The canonical SMILES for (3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol is OC[C@H]1OC(O)[C@H](O)[C@@H]1[18F].
What is the InChIKey of (3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol?
The InChIKey is NZBLAOXQXYQYNW-YERBMNRYSA-N. The full InChI is InChI=1S/C5H9FO4/c6-3-2(1-7)10-5(9)4(3)8/h2-5,7-9H,1H2/t2-,3-,4-,5?/m1/s1/i6-1.
What are the key properties of (3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol?
(3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol has a molecular weight of 151.12 g/mol, XLogP of -1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol is sourced from PubChem (CID 71475417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).