3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid

C10H13N3O6 — CID 162957225

IUPAC3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid
SMILESNC1C(C(=O)O)OC(n2cccnc2=O)C(O)C1O
InChIInChI=1S/C10H13N3O6/c11-4-5(14)6(15)8(19-7(4)9(16)17)13-3-1-2-12-10(13)18/h1-8,14-15H,11H2,(H,16,17)
InChIKeyXOTAPVZHVUJTAQ-UHFFFAOYSA-N
MW271.23 g/mol
LogP-2.73
Rot. Bonds2

About 3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid

3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid (PubChem CID 162957225) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid
PubChem CID162957225
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid
SMILESNC1C(C(=O)O)OC(n2cccnc2=O)C(O)C1O
InChIInChI=1S/C10H13N3O6/c11-4-5(14)6(15)8(19-7(4)9(16)17)13-3-1-2-12-10(13)18/h1-8,14-15H,11H2,(H,16,17)
InChIKeyXOTAPVZHVUJTAQ-UHFFFAOYSA-N
XLogP-2.73
TPSA147.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid?
The IUPAC name of 3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid (CID 162957225) is 3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid.
What is the SMILES notation for 3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid?
The canonical SMILES for 3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid is NC1C(C(=O)O)OC(n2cccnc2=O)C(O)C1O.
What is the InChIKey of 3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid?
The InChIKey is XOTAPVZHVUJTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c11-4-5(14)6(15)8(19-7(4)9(16)17)13-3-1-2-12-10(13)18/h1-8,14-15H,11H2,(H,16,17).
What are the key properties of 3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid?
3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of -2.73, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dihydroxy-6-(2-oxopyrimidin-1-yl)oxane-2-carboxylic acid is sourced from PubChem (CID 162957225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).