methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate

C12H16N2O8 — CID 89486764

IUPACmethyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate
SMILESCOC[C@H]1O[C@@H](n2cc(C(=O)OC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H16N2O8/c1-20-4-6-7(15)8(16)10(22-6)14-3-5(11(18)21-2)9(17)13-12(14)19/h3,6-8,10,15-16H,4H2,1-2H3,(H,13,17,19)/t6-,7-,8-,10-/m1/s1
InChIKeyUAUUWEMQQUOFAM-FDDDBJFASA-N
MW316.27 g/mol
LogP-2.41
Rot. Bonds4

About methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate

methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate (PubChem CID 89486764) has the molecular formula C12H16N2O8 and a molecular weight of 316.27 g/mol. Its IUPAC name is methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate
PubChem CID89486764
Molecular FormulaC12H16N2O8
Molecular Weight316.27 g/mol
Exact Mass316.09
IUPAC Namemethyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate
SMILESCOC[C@H]1O[C@@H](n2cc(C(=O)OC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H16N2O8/c1-20-4-6-7(15)8(16)10(22-6)14-3-5(11(18)21-2)9(17)13-12(14)19/h3,6-8,10,15-16H,4H2,1-2H3,(H,13,17,19)/t6-,7-,8-,10-/m1/s1
InChIKeyUAUUWEMQQUOFAM-FDDDBJFASA-N
XLogP-2.41
TPSA140.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate with MolForge

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Related Compounds

tetralithium;[[[3,4-dihydroxy-5-(5-methoxycarbonyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 171323135
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642
methyl 2-[1-[(2R,3S,5R)-5-[(4,6-dihydroxy-2,4,6-trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl)oxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 118149101
1-[(2R,4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
CID 121217563
disodium;2-[[(2R,3S,4S,5R)-5-(5-acetyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]acetate
CID 127256537
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 14530807
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
[(2S,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,6-dimethoxybenzoate
CID 57307799
3-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
CID 158907779
3-[(2R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
CID 159223307
5-(1-bromo-2-iodoethenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 91224984

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate?
The IUPAC name of methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate (CID 89486764) is methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate.
What is the SMILES notation for methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate?
The canonical SMILES for methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate is COC[C@H]1O[C@@H](n2cc(C(=O)OC)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate?
The InChIKey is UAUUWEMQQUOFAM-FDDDBJFASA-N. The full InChI is InChI=1S/C12H16N2O8/c1-20-4-6-7(15)8(16)10(22-6)14-3-5(11(18)21-2)9(17)13-12(14)19/h3,6-8,10,15-16H,4H2,1-2H3,(H,13,17,19)/t6-,7-,8-,10-/m1/s1.
What are the key properties of methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate?
methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate has a molecular weight of 316.27 g/mol, XLogP of -2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylate is sourced from PubChem (CID 89486764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).