(3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol

C9H12N2O4 — CID 22847476

IUPAC(3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol
SMILESO[C@@H]1[C@H](O)COC(c2ncccn2)[C@H]1O
InChIInChI=1S/C9H12N2O4/c12-5-4-15-8(7(14)6(5)13)9-10-2-1-3-11-9/h1-3,5-8,12-14H,4H2/t5-,6-,7+,8?/m1/s1
InChIKeyZYRPYARSBLLQPT-HBFKVTOISA-N
MW212.21 g/mol
LogP-1.37
Rot. Bonds1

About (3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol

(3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol (PubChem CID 22847476) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is (3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol
PubChem CID22847476
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name(3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol
SMILESO[C@@H]1[C@H](O)COC(c2ncccn2)[C@H]1O
InChIInChI=1S/C9H12N2O4/c12-5-4-15-8(7(14)6(5)13)9-10-2-1-3-11-9/h1-3,5-8,12-14H,4H2/t5-,6-,7+,8?/m1/s1
InChIKeyZYRPYARSBLLQPT-HBFKVTOISA-N
XLogP-1.37
TPSA95.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol?
The IUPAC name of (3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol (CID 22847476) is (3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol.
What is the SMILES notation for (3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol?
The canonical SMILES for (3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol is O[C@@H]1[C@H](O)COC(c2ncccn2)[C@H]1O.
What is the InChIKey of (3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol?
The InChIKey is ZYRPYARSBLLQPT-HBFKVTOISA-N. The full InChI is InChI=1S/C9H12N2O4/c12-5-4-15-8(7(14)6(5)13)9-10-2-1-3-11-9/h1-3,5-8,12-14H,4H2/t5-,6-,7+,8?/m1/s1.
What are the key properties of (3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol?
(3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol has a molecular weight of 212.21 g/mol, XLogP of -1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol is sourced from PubChem (CID 22847476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).