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

C5H9FO4 — CID 66649258

IUPAC(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol
SMILESOC[C@H]1O[C@H](O)[C@H](O)[C@@H]1F
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
InChIKeyNZBLAOXQXYQYNW-AIHAYLRMSA-N
MW152.12 g/mol
LogP-1.61
Rot. Bonds1

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

(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol (PubChem CID 66649258) has the molecular formula C5H9FO4 and a molecular weight of 152.12 g/mol. Its IUPAC name is (2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol
PubChem CID66649258
Molecular FormulaC5H9FO4
Molecular Weight152.12 g/mol
Exact Mass152.05
IUPAC Name(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol
SMILESOC[C@H]1O[C@H](O)[C@H](O)[C@@H]1F
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
InChIKeyNZBLAOXQXYQYNW-AIHAYLRMSA-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 ≤ 500152.12
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S,5R)-4-(18F)fluoro-5-(hydroxymethyl)oxolane-2,3-diol
CID 71475417
(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
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
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 (2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol?
The IUPAC name of (2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol (CID 66649258) is (2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol.
What is the SMILES notation for (2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol?
The canonical SMILES for (2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol is OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1F.
What is the InChIKey of (2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol?
The InChIKey is NZBLAOXQXYQYNW-AIHAYLRMSA-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.
What are the key properties of (2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol?
(2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol has a molecular weight of 152.12 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 (2S,3S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolane-2,3-diol is sourced from PubChem (CID 66649258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).