(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol

C9H11FN2O4 — CID 54488130

IUPAC(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol
SMILESOC[C@H]1OC(c2ncccn2)[C@](O)(F)[C@@H]1O
InChIInChI=1S/C9H11FN2O4/c10-9(15)6(14)5(4-13)16-7(9)8-11-2-1-3-12-8/h1-3,5-7,13-15H,4H2/t5-,6-,7?,9+/m1/s1
InChIKeyXTUPGPANBSEVEF-AGGUXCKUSA-N
MW230.19 g/mol
LogP-1.07
Rot. Bonds2

About (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol

(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol (PubChem CID 54488130) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol
PubChem CID54488130
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol
SMILESOC[C@H]1OC(c2ncccn2)[C@](O)(F)[C@@H]1O
InChIInChI=1S/C9H11FN2O4/c10-9(15)6(14)5(4-13)16-7(9)8-11-2-1-3-12-8/h1-3,5-7,13-15H,4H2/t5-,6-,7?,9+/m1/s1
InChIKeyXTUPGPANBSEVEF-AGGUXCKUSA-N
XLogP-1.07
TPSA95.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol?
The IUPAC name of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol (CID 54488130) is (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol?
The canonical SMILES for (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol is OC[C@H]1OC(c2ncccn2)[C@](O)(F)[C@@H]1O.
What is the InChIKey of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol?
The InChIKey is XTUPGPANBSEVEF-AGGUXCKUSA-N. The full InChI is InChI=1S/C9H11FN2O4/c10-9(15)6(14)5(4-13)16-7(9)8-11-2-1-3-12-8/h1-3,5-7,13-15H,4H2/t5-,6-,7?,9+/m1/s1.
What are the key properties of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol?
(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol has a molecular weight of 230.19 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-2-pyrimidin-2-yloxolane-3,4-diol is sourced from PubChem (CID 54488130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).