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

C5H9FO5 — CID 150112365

IUPAC(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESOC[C@H]1O[C@@](O)(F)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H9FO5/c6-5(10)4(9)3(8)2(1-7)11-5/h2-4,7-10H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyDXNJIEAKJQKLMY-TXICZTDVSA-N
MW168.12 g/mol
LogP-2.29
Rot. Bonds1

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

(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol (PubChem CID 150112365) has the molecular formula C5H9FO5 and a molecular weight of 168.12 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
PubChem CID150112365
Molecular FormulaC5H9FO5
Molecular Weight168.12 g/mol
Exact Mass168.04
IUPAC Name(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
SMILESOC[C@H]1O[C@@](O)(F)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H9FO5/c6-5(10)4(9)3(8)2(1-7)11-5/h2-4,7-10H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyDXNJIEAKJQKLMY-TXICZTDVSA-N
XLogP-2.29
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514
(2R,3S,4S,5R)-2-fluoro-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 176987115
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
CID 164603128
(3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 170546402
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol (CID 150112365) is (2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol is OC[C@H]1O[C@@](O)(F)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol?
The InChIKey is DXNJIEAKJQKLMY-TXICZTDVSA-N. The full InChI is InChI=1S/C5H9FO5/c6-5(10)4(9)3(8)2(1-7)11-5/h2-4,7-10H,1H2/t2-,3-,4-,5-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol?
(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol has a molecular weight of 168.12 g/mol, XLogP of -2.29, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 150112365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).