1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one

C15H25N2O7P — CID 11068827

IUPAC1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one
SMILESCCOP(=O)(C[C@H]1C[C@H](n2ccc(OC)nc2=O)O[C@@H]1CO)OCC
InChIInChI=1S/C15H25N2O7P/c1-4-22-25(20,23-5-2)10-11-8-14(24-12(11)9-18)17-7-6-13(21-3)16-15(17)19/h6-7,11-12,14,18H,4-5,8-10H2,1-3H3/t11-,12-,14-/m1/s1
InChIKeyHBPVGSOZMYSXQC-YRGRVCCFSA-N
MW376.35 g/mol
LogP1.41
Rot. Bonds9

About 1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one

1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one (PubChem CID 11068827) has the molecular formula C15H25N2O7P and a molecular weight of 376.35 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one
PubChem CID11068827
Molecular FormulaC15H25N2O7P
Molecular Weight376.35 g/mol
Exact Mass376.14
IUPAC Name1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one
SMILESCCOP(=O)(C[C@H]1C[C@H](n2ccc(OC)nc2=O)O[C@@H]1CO)OCC
InChIInChI=1S/C15H25N2O7P/c1-4-22-25(20,23-5-2)10-11-8-14(24-12(11)9-18)17-7-6-13(21-3)16-15(17)19/h6-7,11-12,14,18H,4-5,8-10H2,1-3H3/t11-,12-,14-/m1/s1
InChIKeyHBPVGSOZMYSXQC-YRGRVCCFSA-N
XLogP1.41
TPSA109.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one 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

1-[(2R,4R,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 3009330
4-amino-1-[5-(hydroxymethyl)-4-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59552995
1-[(1S,2R,4R,5S)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-4-methoxypyrimidin-2-one
CID 21145533
[(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol
CID 10893744
4-amino-1-[(2S,4S,5R)-5-(hydroxymethyl)-4-methylsulfanyloxolan-2-yl]pyrimidin-2-one
CID 10332688
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
[(2S,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-(azidomethyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 22841936
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[tris(4-methoxyphenyl)methylamino]pyrimidin-2-one
CID 68542164
[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl] N-phenylcarbamate
CID 176863778
[[5-(4-aminooxy-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 170014744
[(2R,3S,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 688454

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one?
The IUPAC name of 1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one (CID 11068827) is 1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one.
What is the SMILES notation for 1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one?
The canonical SMILES for 1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one is CCOP(=O)(C[C@H]1C[C@H](n2ccc(OC)nc2=O)O[C@@H]1CO)OCC.
What is the InChIKey of 1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one?
The InChIKey is HBPVGSOZMYSXQC-YRGRVCCFSA-N. The full InChI is InChI=1S/C15H25N2O7P/c1-4-22-25(20,23-5-2)10-11-8-14(24-12(11)9-18)17-7-6-13(21-3)16-15(17)19/h6-7,11-12,14,18H,4-5,8-10H2,1-3H3/t11-,12-,14-/m1/s1.
What are the key properties of 1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one?
1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one has a molecular weight of 376.35 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one is sourced from PubChem (CID 11068827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).