[(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate

C15H19N3O7 — CID 14885938

IUPAC[(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate
SMILESCC(=O)Nc1ccn([C@@H]2O[C@H](COC(C)=O)C[C@@H]2OC(C)=O)c(=O)n1
InChIInChI=1S/C15H19N3O7/c1-8(19)16-13-4-5-18(15(22)17-13)14-12(24-10(3)21)6-11(25-14)7-23-9(2)20/h4-5,11-12,14H,6-7H2,1-3H3,(H,16,17,19,22)/t11-,12-,14+/m0/s1
InChIKeyPDCMOYPSFLNSDN-SGMGOOAPSA-N
MW353.33 g/mol
LogP-0.02
Rot. Bonds5

About [(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate

[(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate (PubChem CID 14885938) has the molecular formula C15H19N3O7 and a molecular weight of 353.33 g/mol. Its IUPAC name is [(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate
PubChem CID14885938
Molecular FormulaC15H19N3O7
Molecular Weight353.33 g/mol
Exact Mass353.12
IUPAC Name[(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate
SMILESCC(=O)Nc1ccn([C@@H]2O[C@H](COC(C)=O)C[C@@H]2OC(C)=O)c(=O)n1
InChIInChI=1S/C15H19N3O7/c1-8(19)16-13-4-5-18(15(22)17-13)14-12(24-10(3)21)6-11(25-14)7-23-9(2)20/h4-5,11-12,14H,6-7H2,1-3H3,(H,16,17,19,22)/t11-,12-,14+/m0/s1
InChIKeyPDCMOYPSFLNSDN-SGMGOOAPSA-N
XLogP-0.02
TPSA125.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate (CID 14885938) is [(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate is CC(=O)Nc1ccn([C@@H]2O[C@H](COC(C)=O)C[C@@H]2OC(C)=O)c(=O)n1.
What is the InChIKey of [(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate?
The InChIKey is PDCMOYPSFLNSDN-SGMGOOAPSA-N. The full InChI is InChI=1S/C15H19N3O7/c1-8(19)16-13-4-5-18(15(22)17-13)14-12(24-10(3)21)6-11(25-14)7-23-9(2)20/h4-5,11-12,14H,6-7H2,1-3H3,(H,16,17,19,22)/t11-,12-,14+/m0/s1.
What are the key properties of [(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate?
[(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate has a molecular weight of 353.33 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-4-acetyloxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 14885938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).