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

C13H23N4O6P — CID 11337402

IUPAC[(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OC[C@H]1C[C@@H](n2ccc(N)nc2=O)ON1C
InChIInChI=1S/C13H23N4O6P/c1-4-20-24(19,21-5-2)22-9-10-8-12(23-16(10)3)17-7-6-11(14)15-13(17)18/h6-7,10,12H,4-5,8-9H2,1-3H3,(H2,14,15,18)/t10-,12+/m1/s1
InChIKeyXJINBQMKLNCRAK-PWSUYJOCSA-N
MW362.32 g/mol
LogP1.16
Rot. Bonds8

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

[(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate (PubChem CID 11337402) has the molecular formula C13H23N4O6P and a molecular weight of 362.32 g/mol. Its IUPAC name is [(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate.

Molecular Properties

Compound Name[(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate
PubChem CID11337402
Molecular FormulaC13H23N4O6P
Molecular Weight362.32 g/mol
Exact Mass362.14
IUPAC Name[(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OC[C@H]1C[C@@H](n2ccc(N)nc2=O)ON1C
InChIInChI=1S/C13H23N4O6P/c1-4-20-24(19,21-5-2)22-9-10-8-12(23-16(10)3)17-7-6-11(14)15-13(17)18/h6-7,10,12H,4-5,8-9H2,1-3H3,(H2,14,15,18)/t10-,12+/m1/s1
InChIKeyXJINBQMKLNCRAK-PWSUYJOCSA-N
XLogP1.16
TPSA118.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

diethyl [(3R,5S)-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]methyl phosphate
CID 11199760
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 624
[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl-ethoxyphosphinic acid
CID 14755650
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
CID 71317334
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphate
CID 25323089
[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 153405657
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid;azane
CID 25128801
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
[4-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]oxymethyl-ethoxyphosphinic acid
CID 88965090
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[ethoxy(hydroxy)phosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl ethyl hydrogen phosphate
CID 101343631
4-amino-1-[(2R,4S,5R)-5-ethyl-4-methoxyoxolan-2-yl]pyrimidin-2-one
CID 58332720
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
CID 130458181

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate?
The IUPAC name of [(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate (CID 11337402) is [(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate.
What is the SMILES notation for [(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate?
The canonical SMILES for [(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate is CCOP(=O)(OCC)OC[C@H]1C[C@@H](n2ccc(N)nc2=O)ON1C.
What is the InChIKey of [(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate?
The InChIKey is XJINBQMKLNCRAK-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H23N4O6P/c1-4-20-24(19,21-5-2)22-9-10-8-12(23-16(10)3)17-7-6-11(14)15-13(17)18/h6-7,10,12H,4-5,8-9H2,1-3H3,(H2,14,15,18)/t10-,12+/m1/s1.
What are the key properties of [(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate?
[(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate has a molecular weight of 362.32 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-methyl-1,2-oxazolidin-3-yl]methyl diethyl phosphate is sourced from PubChem (CID 11337402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).