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Uridine triacetate

C14H16N2O9 — CID 23279496

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Data last refreshed: (MolForge compound catalog, from PubChem)

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 Uridine triacetate

Uridine triacetate (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 NameUridine triacetate
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'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of Uridine triacetate?
The IUPAC name of Uridine triacetate (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 Uridine triacetate?
The canonical SMILES for Uridine triacetate 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 Uridine triacetate?
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 Uridine triacetate?
Uridine triacetate 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 Uridine triacetate is sourced from PubChem (CID 23279496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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