[(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate

C14H16N2O9 — CID 23279496

💊View drug profile → uridine triacetate
IUPAC[(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C14H16N2O9/c1-6(17)22-10-11(23-7(2)18)13(24-8(3)19)25-12(10)16-5-4-9(20)15-14(16)21/h4-5,10-13H,1-3H3,(H,15,20,21)/t10-,11+,12-,13+/m1/s1
InChIKeyBKCXTZWLBPOGRU-XQHKEYJVSA-N
MW356.29 g/mol
LogP-1.18
Rot. Bonds4

About [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate

[(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate (PubChem CID 23279496) has the molecular formula C14H16N2O9 and a molecular weight of 356.29 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
PubChem CID23279496
Molecular FormulaC14H16N2O9
Molecular Weight356.29 g/mol
Exact Mass356.09
IUPAC Name[(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C14H16N2O9/c1-6(17)22-10-11(23-7(2)18)13(24-8(3)19)25-12(10)16-5-4-9(20)15-14(16)21/h4-5,10-13H,1-3H3,(H,15,20,21)/t10-,11+,12-,13+/m1/s1
InChIKeyBKCXTZWLBPOGRU-XQHKEYJVSA-N
XLogP-1.18
TPSA142.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate with MolForge

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Related Compounds

2',3',5'-tri-O-acetyluridine
CID 20058
[(2S,3S,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 73265182
1-(2,3,5-Tri-O-acetylpentofuranosyl)pyrimidine-2,4(1H,3H)-dione
CID 254731
2',3'-O-(isopropylidene)uridine 5'-acetate
CID 85191
[(3R,4R,5R,6R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-6-methoxyoxan-3-yl] acetate
CID 13870877
[(2S,3S,4S,5S)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 124300592
[(2R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70798815
[(2R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] acetate
CID 129128606
[4-Acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-3-yl] acetate
CID 287111
[(2R,3S,4S,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-3-fluoro-2-methoxyoxolan-2-yl]methyl acetate
CID 118191468
[4-Acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-3-fluoro-2-methoxyoxolan-2-yl]methyl acetate
CID 123551640
[(2R,3S,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-ethyl-4-fluoro-5-methoxyoxolan-3-yl] acetate
CID 134597191

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate (CID 23279496) is [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate is CC(=O)O[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The InChIKey is BKCXTZWLBPOGRU-XQHKEYJVSA-N. The full InChI is InChI=1S/C14H16N2O9/c1-6(17)22-10-11(23-7(2)18)13(24-8(3)19)25-12(10)16-5-4-9(20)15-14(16)21/h4-5,10-13H,1-3H3,(H,15,20,21)/t10-,11+,12-,13+/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
[(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate has a molecular weight of 356.29 g/mol, XLogP of -1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-4,5-diacetyloxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate is sourced from PubChem (CID 23279496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).