[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate

C18H19FN2O9 — CID 57307799

IUPAC[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C(O)C1O
InChIInChI=1S/C18H19FN2O9/c1-27-9-4-3-5-10(28-2)12(9)17(25)29-7-11-13(22)14(23)16(30-11)21-6-8(19)15(24)20-18(21)26/h3-6,11,13-14,16,22-23H,7H2,1-2H3,(H,20,24,26)/t11-,13?,14?,16-/m0/s1
InChIKeyXCJOBCMYGXLOJT-MEDBZGDMSA-N
MW426.35 g/mol
LogP-0.83
Rot. Bonds6

About [(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate

[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate (PubChem CID 57307799) has the molecular formula C18H19FN2O9 and a molecular weight of 426.35 g/mol. Its IUPAC name is [(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate
PubChem CID57307799
Molecular FormulaC18H19FN2O9
Molecular Weight426.35 g/mol
Exact Mass426.11
IUPAC Name[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C(O)C1O
InChIInChI=1S/C18H19FN2O9/c1-27-9-4-3-5-10(28-2)12(9)17(25)29-7-11-13(22)14(23)16(30-11)21-6-8(19)15(24)20-18(21)26/h3-6,11,13-14,16,22-23H,7H2,1-2H3,(H,20,24,26)/t11-,13?,14?,16-/m0/s1
InChIKeyXCJOBCMYGXLOJT-MEDBZGDMSA-N
XLogP-0.83
TPSA149.31 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate 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

[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3,4,5-trimethoxybenzoate
CID 21185496
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,4,6-trimethylbenzoate
CID 10136124
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 14530807
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl prop-2-enoate
CID 14539818
[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S)-2-amino-3-methylpentanoate
CID 57200726
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (E)-3-phenylprop-2-enoate
CID 14539823
1-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 7059460
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]-3,4,5-trimethoxybenzoate
CID 20632020
[(2R,3R,4R,5R)-3-benzoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methyl benzoate
CID 10005546
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 13134890
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,3R,4S,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 45104939

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate?
The IUPAC name of [(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate (CID 57307799) is [(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate.
What is the SMILES notation for [(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate?
The canonical SMILES for [(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)C(O)C1O.
What is the InChIKey of [(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate?
The InChIKey is XCJOBCMYGXLOJT-MEDBZGDMSA-N. The full InChI is InChI=1S/C18H19FN2O9/c1-27-9-4-3-5-10(28-2)12(9)17(25)29-7-11-13(22)14(23)16(30-11)21-6-8(19)15(24)20-18(21)26/h3-6,11,13-14,16,22-23H,7H2,1-2H3,(H,20,24,26)/t11-,13?,14?,16-/m0/s1.
What are the key properties of [(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate?
[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate has a molecular weight of 426.35 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate is sourced from PubChem (CID 57307799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).