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

C11H15N3O8 — CID 90673698

IUPAC2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide
SMILESNC(=O)COc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O8/c12-6(16)3-21-4-1-14(11(20)13-9(4)19)10-8(18)7(17)5(2-15)22-10/h1,5,7-8,10,15,17-18H,2-3H2,(H2,12,16)(H,13,19,20)/t5-,7-,8-,10-/m1/s1
InChIKeyQCLPVGABRSOHHA-VPCXQMTMSA-N
MW317.25 g/mol
LogP-3.99
Rot. Bonds5

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

2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide (PubChem CID 90673698) has the molecular formula C11H15N3O8 and a molecular weight of 317.25 g/mol. Its IUPAC name is 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide.

Molecular Properties

Compound Name2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide
PubChem CID90673698
Molecular FormulaC11H15N3O8
Molecular Weight317.25 g/mol
Exact Mass317.09
IUPAC Name2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide
SMILESNC(=O)COc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O8/c12-6(16)3-21-4-1-14(11(20)13-9(4)19)10-8(18)7(17)5(2-15)22-10/h1,5,7-8,10,15,17-18H,2-3H2,(H2,12,16)(H,13,19,20)/t5-,7-,8-,10-/m1/s1
InChIKeyQCLPVGABRSOHHA-VPCXQMTMSA-N
XLogP-3.99
TPSA177.10 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 5-3.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide?
The IUPAC name of 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide (CID 90673698) is 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide.
What is the SMILES notation for 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide?
The canonical SMILES for 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide is NC(=O)COc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide?
The InChIKey is QCLPVGABRSOHHA-VPCXQMTMSA-N. The full InChI is InChI=1S/C11H15N3O8/c12-6(16)3-21-4-1-14(11(20)13-9(4)19)10-8(18)7(17)5(2-15)22-10/h1,5,7-8,10,15,17-18H,2-3H2,(H2,12,16)(H,13,19,20)/t5-,7-,8-,10-/m1/s1.
What are the key properties of 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide?
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide has a molecular weight of 317.25 g/mol, XLogP of -3.99, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide is sourced from PubChem (CID 90673698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).