3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione

C8H10N2O5 — CID 177077743

IUPAC3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1[C@@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C8H10N2O5/c11-4-3-15-7(6(4)13)10-5(12)1-2-9-8(10)14/h1-2,4,6-7,11,13H,3H2,(H,9,14)/t4-,6+,7+/m0/s1
InChIKeySXDOSTFGFIIONW-UBKIQSJTSA-N
MW214.18 g/mol
LogP-2.21
Rot. Bonds1

About 3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione

3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 177077743) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID177077743
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1[C@@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C8H10N2O5/c11-4-3-15-7(6(4)13)10-5(12)1-2-9-8(10)14/h1-2,4,6-7,11,13H,3H2,(H,9,14)/t4-,6+,7+/m0/s1
InChIKeySXDOSTFGFIIONW-UBKIQSJTSA-N
XLogP-2.21
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione (CID 177077743) is 3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1[C@@H]1OC[C@H](O)[C@H]1O.
What is the InChIKey of 3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is SXDOSTFGFIIONW-UBKIQSJTSA-N. The full InChI is InChI=1S/C8H10N2O5/c11-4-3-15-7(6(4)13)10-5(12)1-2-9-8(10)14/h1-2,4,6-7,11,13H,3H2,(H,9,14)/t4-,6+,7+/m0/s1.
What are the key properties of 3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione?
3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 214.18 g/mol, XLogP of -2.21, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 177077743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).