[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid

C15H25N2O8P — CID 174224091

IUPAC[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid
SMILESCOP(=O)(O)CO[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](C)[C@@H]1OC(C)(C)C
InChIInChI=1S/C15H25N2O8P/c1-9-11(25-15(2,3)4)13(23-8-26(20,21)22-5)24-12(9)17-7-6-10(18)16-14(17)19/h6-7,9,11-13H,8H2,1-5H3,(H,20,21)(H,16,18,19)/t9-,11+,12-,13+/m1/s1
InChIKeyFANQSIAVTLBQRL-MGAJPHDKSA-N
MW392.35 g/mol
LogP1.02
Rot. Bonds6

About [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid

[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid (PubChem CID 174224091) has the molecular formula C15H25N2O8P and a molecular weight of 392.35 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid
PubChem CID174224091
Molecular FormulaC15H25N2O8P
Molecular Weight392.35 g/mol
Exact Mass392.13
IUPAC Name[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid
SMILESCOP(=O)(O)CO[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](C)[C@@H]1OC(C)(C)C
InChIInChI=1S/C15H25N2O8P/c1-9-11(25-15(2,3)4)13(23-8-26(20,21)22-5)24-12(9)17-7-6-10(18)16-14(17)19/h6-7,9,11-13H,8H2,1-5H3,(H,20,21)(H,16,18,19)/t9-,11+,12-,13+/m1/s1
InChIKeyFANQSIAVTLBQRL-MGAJPHDKSA-N
XLogP1.02
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid with MolForge

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Related Compounds

[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid
CID 57398426
[3-(2,4-dioxopyrimidin-1-yl)-4-methyl-2-oxabicyclo[3.1.0]hexan-6-yl] dihydrogen phosphate
CID 123393210
[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-(trideuteriomethoxy)oxolan-2-yl]oxymethylphosphonic acid
CID 175954981
1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145071280
1-[(2R,4R,5S)-5-ethoxy-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 175618494
3-[[(2R,5R)-2-(dimethoxyphosphorylmethoxy)-5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 142299843
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione;phosphoric acid
CID 68506781
[(1S,2S)-2-(2,4-dioxopyrimidin-1-yl)cyclohexyl]oxymethylphosphonic acid
CID 101180478
[(1S)-1-[(2S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]ethyl] dihydrogen phosphate
CID 122600466
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] dihydrogen phosphate
CID 153213214
1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]ethyl dihydrogen phosphate
CID 139337736
2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid
CID 170364552

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid?
The IUPAC name of [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid (CID 174224091) is [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid.
What is the SMILES notation for [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid?
The canonical SMILES for [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid is COP(=O)(O)CO[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](C)[C@@H]1OC(C)(C)C.
What is the InChIKey of [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid?
The InChIKey is FANQSIAVTLBQRL-MGAJPHDKSA-N. The full InChI is InChI=1S/C15H25N2O8P/c1-9-11(25-15(2,3)4)13(23-8-26(20,21)22-5)24-12(9)17-7-6-10(18)16-14(17)19/h6-7,9,11-13H,8H2,1-5H3,(H,20,21)(H,16,18,19)/t9-,11+,12-,13+/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid?
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid has a molecular weight of 392.35 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid is sourced from PubChem (CID 174224091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).