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

C5H9FO4 — CID 54492285

IUPAC(3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1OC(F)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H9FO4/c6-5-4(9)3(8)2(1-7)10-5/h2-5,7-9H,1H2/t2-,3-,4+,5?/m1/s1
InChIKeyZBWUJEWMRPNMQG-ZRMNMSDTSA-N
MW152.12 g/mol
LogP-1.61
Rot. Bonds1

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

(3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 54492285) has the molecular formula C5H9FO4 and a molecular weight of 152.12 g/mol. Its IUPAC name is (3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID54492285
Molecular FormulaC5H9FO4
Molecular Weight152.12 g/mol
Exact Mass152.05
IUPAC Name(3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1OC(F)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H9FO4/c6-5-4(9)3(8)2(1-7)10-5/h2-5,7-9H,1H2/t2-,3-,4+,5?/m1/s1
InChIKeyZBWUJEWMRPNMQG-ZRMNMSDTSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol (CID 54492285) is (3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1OC(F)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is ZBWUJEWMRPNMQG-ZRMNMSDTSA-N. The full InChI is InChI=1S/C5H9FO4/c6-5-4(9)3(8)2(1-7)10-5/h2-5,7-9H,1H2/t2-,3-,4+,5?/m1/s1.
What are the key properties of (3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol?
(3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-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 (3S,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 54492285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).