2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide

C11H15N3O8 — CID 174112541

IUPAC2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide
SMILESNC(=O)C(O)n1cc([C@@H]2O[C@H](CO)C(O)C2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O8/c12-8(18)10(20)14-1-3(9(19)13-11(14)21)7-6(17)5(16)4(2-15)22-7/h1,4-7,10,15-17,20H,2H2,(H2,12,18)(H,13,19,21)/t4-,5?,6?,7+,10?/m1/s1
InChIKeyIINUQFVMHKDAJA-DIIMHYBUSA-N
MW317.25 g/mol
LogP-4.33
Rot. Bonds4

About 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide

2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide (PubChem CID 174112541) has the molecular formula C11H15N3O8 and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide
PubChem CID174112541
Molecular FormulaC11H15N3O8
Molecular Weight317.25 g/mol
Exact Mass317.09
IUPAC Name2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide
SMILESNC(=O)C(O)n1cc([C@@H]2O[C@H](CO)C(O)C2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O8/c12-8(18)10(20)14-1-3(9(19)13-11(14)21)7-6(17)5(16)4(2-15)22-7/h1,4-7,10,15-17,20H,2H2,(H2,12,18)(H,13,19,21)/t4-,5?,6?,7+,10?/m1/s1
InChIKeyIINUQFVMHKDAJA-DIIMHYBUSA-N
XLogP-4.33
TPSA188.10 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.25
LogP ≤ 5-4.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-propylpyrimidine-2,4-dione
CID 90220597
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylsulfanylpyrimidine-2,4-dione
CID 174112515
2-amino-5-[5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]pentanoic acid
CID 167362071
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(3-oxobutyl)pyrimidine-2,4-dione
CID 58192972
methyl 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]acetate
CID 174112531
5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-enylpyrimidine-2,4-dione
CID 123502437
1-cyclopentyl-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 168973339
1-cyclobutyloxy-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 168973317
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(2-ethoxyethyl)pyrimidine-2,4-dione
CID 129218180
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(1H-imidazol-2-yl)pyrimidine-2,4-dione
CID 168973348
5-[(2S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-1-methylpyrimidine-2,4-dione
CID 144823454
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-[(3-methylbut-2-enylamino)methyl]pyrimidine-2,4-dione
CID 174112543

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide?
The IUPAC name of 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide (CID 174112541) is 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide.
What is the SMILES notation for 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide?
The canonical SMILES for 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide is NC(=O)C(O)n1cc([C@@H]2O[C@H](CO)C(O)C2O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide?
The InChIKey is IINUQFVMHKDAJA-DIIMHYBUSA-N. The full InChI is InChI=1S/C11H15N3O8/c12-8(18)10(20)14-1-3(9(19)13-11(14)21)7-6(17)5(16)4(2-15)22-7/h1,4-7,10,15-17,20H,2H2,(H2,12,18)(H,13,19,21)/t4-,5?,6?,7+,10?/m1/s1.
What are the key properties of 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide?
2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide has a molecular weight of 317.25 g/mol, XLogP of -4.33, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-1-yl]-2-hydroxyacetamide is sourced from PubChem (CID 174112541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).