[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate

C11H17N2O7P — CID 58319643

IUPAC[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)CC1OP(=O)(O)OC
InChIInChI=1S/C11H17N2O7P/c1-3-7-8(20-21(16,17)18-2)6-10(19-7)13-5-4-9(14)12-11(13)15/h4-5,7-8,10H,3,6H2,1-2H3,(H,16,17)(H,12,14,15)/t7-,8?,10-/m1/s1
InChIKeyHSTRCYOAZLDNMF-HUWCLSLFSA-N
MW320.24 g/mol
LogP0.37
Rot. Bonds5

About [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate

[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate (PubChem CID 58319643) has the molecular formula C11H17N2O7P and a molecular weight of 320.24 g/mol. Its IUPAC name is [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate.

Molecular Properties

Compound Name[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate
PubChem CID58319643
Molecular FormulaC11H17N2O7P
Molecular Weight320.24 g/mol
Exact Mass320.08
IUPAC Name[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)CC1OP(=O)(O)OC
InChIInChI=1S/C11H17N2O7P/c1-3-7-8(20-21(16,17)18-2)6-10(19-7)13-5-4-9(14)12-11(13)15/h4-5,7-8,10H,3,6H2,1-2H3,(H,16,17)(H,12,14,15)/t7-,8?,10-/m1/s1
InChIKeyHSTRCYOAZLDNMF-HUWCLSLFSA-N
XLogP0.37
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 174149552
[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
CID 102016840
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione
CID 58159388
tert-butyl [(2R,3R,5R)-2-(2,2-dimethylpropyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphinothioyl]oxyoxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-5-(2,2-dimethylpropyl)-4-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 159451005
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-methoxyoxolan-3-yl] dihydrogen phosphate
CID 153213214
1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123691114
[(2R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methylphosphonic acid
CID 123287690
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
ethyl [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]formate
CID 5272112
triazanium;[(2R,3S,5R)-5-(2,4-dioxo(213C,1,3-15N2)pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 171382029
[5-(2,4-dioxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]methoxy-N-oxophosphonamidic acid
CID 170081776

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate?
The IUPAC name of [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate (CID 58319643) is [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate.
What is the SMILES notation for [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate?
The canonical SMILES for [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate is CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)CC1OP(=O)(O)OC.
What is the InChIKey of [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate?
The InChIKey is HSTRCYOAZLDNMF-HUWCLSLFSA-N. The full InChI is InChI=1S/C11H17N2O7P/c1-3-7-8(20-21(16,17)18-2)6-10(19-7)13-5-4-9(14)12-11(13)15/h4-5,7-8,10H,3,6H2,1-2H3,(H,16,17)(H,12,14,15)/t7-,8?,10-/m1/s1.
What are the key properties of [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate?
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate has a molecular weight of 320.24 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate is sourced from PubChem (CID 58319643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).