[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid

C9H15N6O4P — CID 136928955

IUPAC[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid
SMILESC[C@H](Cn1cnc2c(=O)[nH]c(N)nc21)OCP(N)(=O)O
InChIInChI=1S/C9H15N6O4P/c1-5(19-4-20(11,17)18)2-15-3-12-6-7(15)13-9(10)14-8(6)16/h3,5H,2,4H2,1H3,(H3,11,17,18)(H3,10,13,14,16)/t5-/m1/s1
InChIKeyRZFDEZVXLYVYBB-RXMQYKEDSA-N
MW302.23 g/mol
LogP-0.79
Rot. Bonds5

About [(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid

[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid (PubChem CID 136928955) has the molecular formula C9H15N6O4P and a molecular weight of 302.23 g/mol. Its IUPAC name is [(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid.

Molecular Properties

Compound Name[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid
PubChem CID136928955
Molecular FormulaC9H15N6O4P
Molecular Weight302.23 g/mol
Exact Mass302.09
IUPAC Name[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid
SMILESC[C@H](Cn1cnc2c(=O)[nH]c(N)nc21)OCP(N)(=O)O
InChIInChI=1S/C9H15N6O4P/c1-5(19-4-20(11,17)18)2-15-3-12-6-7(15)13-9(10)14-8(6)16/h3,5H,2,4H2,1H3,(H3,11,17,18)(H3,10,13,14,16)/t5-/m1/s1
InChIKeyRZFDEZVXLYVYBB-RXMQYKEDSA-N
XLogP-0.79
TPSA162.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonic acid;phosphono dihydrogen phosphate
CID 136602085
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-methylphosphinic acid;[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethyl-methylphosphinic acid
CID 137083265
[1-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
CID 135524540
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid
CID 135542259
[(2S)-3-(2-amino-6-oxo-1H-purin-9-yl)-2-methylpropoxy]methylphosphonic acid
CID 136635852
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxybutan-2-yl]oxymethylphosphonic acid
CID 135508794
[2-(2-amino-6-oxo-1H-purin-9-yl)-1-(2-fluoroethoxy)ethoxy]methylphosphonic acid
CID 135446907
2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethoxy]propylphosphonic acid
CID 135867622
[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)butan-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 136635836
2-amino-9-[(2R,3R)-3,4-dihydroxy-2-methylbutyl]-1H-purin-6-one
CID 136756749
1-(2-amino-6-sulfanylidene-3H-purin-9-yl)propan-2-yloxymethylphosphonic acid
CID 18765100
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid
CID 136617763

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid?
The IUPAC name of [(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid (CID 136928955) is [(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid.
What is the SMILES notation for [(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid?
The canonical SMILES for [(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid is C[C@H](Cn1cnc2c(=O)[nH]c(N)nc21)OCP(N)(=O)O.
What is the InChIKey of [(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid?
The InChIKey is RZFDEZVXLYVYBB-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H15N6O4P/c1-5(19-4-20(11,17)18)2-15-3-12-6-7(15)13-9(10)14-8(6)16/h3,5H,2,4H2,1H3,(H3,11,17,18)(H3,10,13,14,16)/t5-/m1/s1.
What are the key properties of [(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid?
[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid has a molecular weight of 302.23 g/mol, XLogP of -0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)propan-2-yl]oxymethylphosphonamidic acid is sourced from PubChem (CID 136928955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).