diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate

C14H24N3O7P — CID 11199760

IUPACdiethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate
SMILESCCOP(=O)(OCC)OC[C@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)ON1C
InChIInChI=1S/C14H24N3O7P/c1-5-21-25(20,22-6-2)23-9-11-7-12(24-16(11)4)17-8-10(3)13(18)15-14(17)19/h8,11-12H,5-7,9H2,1-4H3,(H,15,18,19)/t11-,12+/m1/s1
InChIKeyUHILHPFOOCHWMX-NEPJUHHUSA-N
MW377.33 g/mol
LogP1.18
Rot. Bonds8

About diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate

diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate (PubChem CID 11199760) has the molecular formula C14H24N3O7P and a molecular weight of 377.33 g/mol. Its IUPAC name is diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate.

Molecular Properties

Compound Namediethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate
PubChem CID11199760
Molecular FormulaC14H24N3O7P
Molecular Weight377.33 g/mol
Exact Mass377.14
IUPAC Namediethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate
SMILESCCOP(=O)(OCC)OC[C@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)ON1C
InChIInChI=1S/C14H24N3O7P/c1-5-21-25(20,22-6-2)23-9-11-7-12(24-16(11)4)17-8-10(3)13(18)15-14(17)19/h8,11-12H,5-7,9H2,1-4H3,(H,15,18,19)/t11-,12+/m1/s1
InChIKeyUHILHPFOOCHWMX-NEPJUHHUSA-N
XLogP1.18
TPSA112.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate 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

[(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate
CID 11337402
1-[(4R,5S)-5-(diethoxyphosphorylmethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90704057
[(2R,3R,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494068
[(2R,3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 20711568
[(2S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 133126478
5-methyl-1-[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]pyrimidine-2,4-dione
CID 52944921
CID 18531019
CID 18531019
bis[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] hydrogen phosphate
CID 3035025
1-[(2R,4R,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 3009330
1-[(2R,5R)-5-[(2S)-1-diethoxyphosphorylpropan-2-yl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 162358254
disodium;[(2R,3S,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl phosphate
CID 172897616
disodium;[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 132777756

Frequently Asked Questions

What is the IUPAC name of diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate?
The IUPAC name of diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate (CID 11199760) is diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate.
What is the SMILES notation for diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate?
The canonical SMILES for diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate is CCOP(=O)(OCC)OC[C@H]1C[C@@H](n2cc(C)c(=O)[nH]c2=O)ON1C.
What is the InChIKey of diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate?
The InChIKey is UHILHPFOOCHWMX-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24N3O7P/c1-5-21-25(20,22-6-2)23-9-11-7-12(24-16(11)4)17-8-10(3)13(18)15-14(17)19/h8,11-12H,5-7,9H2,1-4H3,(H,15,18,19)/t11-,12+/m1/s1.
What are the key properties of diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate?
diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate has a molecular weight of 377.33 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate is sourced from PubChem (CID 11199760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).