(2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide

C10H12FN3O7 — CID 7093307

IUPAC(2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide
SMILESNC(=O)[C@@H](O)[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H12FN3O7/c11-2-1-14(10(20)13-8(2)19)9-4(16)3(15)6(21-9)5(17)7(12)18/h1,3-6,9,15-17H,(H2,12,18)(H,13,19,20)/t3-,4-,5-,6+,9+/m0/s1
InChIKeyKJJGTGOGELILOW-DPNVHEHYSA-N
MW305.22 g/mol
LogP-3.86
Rot. Bonds3

About (2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide

(2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide (PubChem CID 7093307) has the molecular formula C10H12FN3O7 and a molecular weight of 305.22 g/mol. Its IUPAC name is (2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide
PubChem CID7093307
Molecular FormulaC10H12FN3O7
Molecular Weight305.22 g/mol
Exact Mass305.07
IUPAC Name(2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide
SMILESNC(=O)[C@@H](O)[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H12FN3O7/c11-2-1-14(10(20)13-8(2)19)9-4(16)3(15)6(21-9)5(17)7(12)18/h1,3-6,9,15-17H,(H2,12,18)(H,13,19,20)/t3-,4-,5-,6+,9+/m0/s1
InChIKeyKJJGTGOGELILOW-DPNVHEHYSA-N
XLogP-3.86
TPSA167.87 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 5-3.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2R,3R,4S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-N-heptyl-2-hydroxyacetamide
CID 129449637
2-[3,4-dihydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid
CID 43915124
1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71315472
1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 7059460
2-aminoacetic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 67362589
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 14530807
1-[(2R,5R)-5-(dideuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 71684674
1-[(2R,3R,4S,5R)-5-deuterio-5-(dideuteriomethyl)-3,4-dihydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 131708567
5-fluoro-1-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]pyrimidine-2,4-dione
CID 26501923
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl prop-2-enoate
CID 14539818
1-[(2R,3R,3aR,6S,6aR)-3,6-dihydroxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 23261448
[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate
CID 57200726

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide (CID 7093307) is (2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide is NC(=O)[C@@H](O)[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide?
The InChIKey is KJJGTGOGELILOW-DPNVHEHYSA-N. The full InChI is InChI=1S/C10H12FN3O7/c11-2-1-14(10(20)13-8(2)19)9-4(16)3(15)6(21-9)5(17)7(12)18/h1,3-6,9,15-17H,(H2,12,18)(H,13,19,20)/t3-,4-,5-,6+,9+/m0/s1.
What are the key properties of (2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide?
(2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide has a molecular weight of 305.22 g/mol, XLogP of -3.86, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 7093307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).