[(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate

C16H23N3O10S — CID 5274318

IUPAC[(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1C(OC(C)=O)[C@@H](COS(=O)(=O)NC(C)C)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H23N3O10S/c1-8(2)18-30(24,25)26-7-11-13(27-9(3)20)14(28-10(4)21)15(29-11)19-6-5-12(22)17-16(19)23/h5-6,8,11,13-15,18H,7H2,1-4H3,(H,17,22,23)/t11-,13?,14?,15-/m1/s1
InChIKeyAFRFMBFDUIJWBZ-GALLPEHLSA-N
MW449.44 g/mol
LogP-1.44
Rot. Bonds8

About [(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate

[(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate (PubChem CID 5274318) has the molecular formula C16H23N3O10S and a molecular weight of 449.44 g/mol. Its IUPAC name is [(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate
PubChem CID5274318
Molecular FormulaC16H23N3O10S
Molecular Weight449.44 g/mol
Exact Mass449.11
IUPAC Name[(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1C(OC(C)=O)[C@@H](COS(=O)(=O)NC(C)C)O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H23N3O10S/c1-8(2)18-30(24,25)26-7-11-13(27-9(3)20)14(28-10(4)21)15(29-11)19-6-5-12(22)17-16(19)23/h5-6,8,11,13-15,18H,7H2,1-4H3,(H,17,22,23)/t11-,13?,14?,15-/m1/s1
InChIKeyAFRFMBFDUIJWBZ-GALLPEHLSA-N
XLogP-1.44
TPSA172.09 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.44
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R,3S,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 12896719
bis[[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] butanedioate
CID 169087902
[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl] acetate
CID 121002322
[(2R,4S,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-sulfanyloxolan-2-yl]methyl acetate
CID 58978842
[(2S,5S)-4-bromooxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 57225900
[(2R,3R,4R,5R)-4-acetyloxy-3-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 10601260
[4-acetyloxy-2-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 164665559
[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
CID 13323334
[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 170319167
[(2S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 6429500
[(2S,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]methyl acetate
CID 118465897
[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,4-dioxo(213C,1,3-15N2)pyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 171042582

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate?
The IUPAC name of [(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate (CID 5274318) is [(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate?
The canonical SMILES for [(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate is CC(=O)OC1C(OC(C)=O)[C@@H](COS(=O)(=O)NC(C)C)O[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of [(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate?
The InChIKey is AFRFMBFDUIJWBZ-GALLPEHLSA-N. The full InChI is InChI=1S/C16H23N3O10S/c1-8(2)18-30(24,25)26-7-11-13(27-9(3)20)14(28-10(4)21)15(29-11)19-6-5-12(22)17-16(19)23/h5-6,8,11,13-15,18H,7H2,1-4H3,(H,17,22,23)/t11-,13?,14?,15-/m1/s1.
What are the key properties of [(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate?
[(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate has a molecular weight of 449.44 g/mol, XLogP of -1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylsulfamoyloxymethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 5274318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).