[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid

C10H16N3O7P — CID 102277753

IUPAC[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid
SMILESC[C@]1(OCP(=O)(O)O)O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O
InChIInChI=1S/C10H16N3O7P/c1-10(19-5-21(16,17)18)6(14)4-8(20-10)13-3-2-7(11)12-9(13)15/h2-3,6,8,14H,4-5H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,8+,10-/m0/s1
InChIKeyRIIUYMYCEHTFQI-IONOHQLYSA-N
MW321.23 g/mol
LogP-1.03
Rot. Bonds4

About [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid

[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid (PubChem CID 102277753) has the molecular formula C10H16N3O7P and a molecular weight of 321.23 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid
PubChem CID102277753
Molecular FormulaC10H16N3O7P
Molecular Weight321.23 g/mol
Exact Mass321.07
IUPAC Name[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid
SMILESC[C@]1(OCP(=O)(O)O)O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O
InChIInChI=1S/C10H16N3O7P/c1-10(19-5-21(16,17)18)6(14)4-8(20-10)13-3-2-7(11)12-9(13)15/h2-3,6,8,14H,4-5H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,8+,10-/m0/s1
InChIKeyRIIUYMYCEHTFQI-IONOHQLYSA-N
XLogP-1.03
TPSA157.13 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid with MolForge

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Launch Full Analysis

Related Compounds

4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 100972802
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 24763733
4-amino-1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 174058525
[[5-(4-amino-2-oxopyrimidin-1-yl)-2-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 123206309
4-amino-1-[5-(chloromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 123858985
[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 153174258
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
CID 71317334
4-amino-1-[(2S,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 176809371
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 624
[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 153405657
4-amino-1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidin-2-one
CID 67875655
[(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid
CID 67784718

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid?
The IUPAC name of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid (CID 102277753) is [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid.
What is the SMILES notation for [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid?
The canonical SMILES for [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid is C[C@]1(OCP(=O)(O)O)O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O.
What is the InChIKey of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid?
The InChIKey is RIIUYMYCEHTFQI-IONOHQLYSA-N. The full InChI is InChI=1S/C10H16N3O7P/c1-10(19-5-21(16,17)18)6(14)4-8(20-10)13-3-2-7(11)12-9(13)15/h2-3,6,8,14H,4-5H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,8+,10-/m0/s1.
What are the key properties of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid?
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid has a molecular weight of 321.23 g/mol, XLogP of -1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid is sourced from PubChem (CID 102277753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).