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

C9H12N2O4 — CID 54505868

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol
SMILESOC[C@H]1OC(c2ncccn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H12N2O4/c12-4-5-6(13)7(14)8(15-5)9-10-2-1-3-11-9/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8?/m1/s1
InChIKeyYFQLZEODHPMTGF-XDTPYFJJSA-N
MW212.21 g/mol
LogP-1.37
Rot. Bonds2

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

(2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol (PubChem CID 54505868) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol
PubChem CID54505868
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol
SMILESOC[C@H]1OC(c2ncccn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H12N2O4/c12-4-5-6(13)7(14)8(15-5)9-10-2-1-3-11-9/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8?/m1/s1
InChIKeyYFQLZEODHPMTGF-XDTPYFJJSA-N
XLogP-1.37
TPSA95.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol (CID 54505868) is (2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol is OC[C@H]1OC(c2ncccn2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol?
The InChIKey is YFQLZEODHPMTGF-XDTPYFJJSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-4-5-6(13)7(14)8(15-5)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 (2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol has a molecular weight of 212.21 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-pyrimidin-2-yloxolane-3,4-diol is sourced from PubChem (CID 54505868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).