[(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid

C9H16N5O4P — CID 137093511

IUPAC[(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid
SMILESC[C@H](Cn1cnc2c1NCN=C2N)OCP(=O)(O)O
InChIInChI=1S/C9H16N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h4,6,12H,2-3,5H2,1H3,(H2,10,11)(H2,15,16,17)/t6-/m1/s1
InChIKeyPTJYTMIDEAMWOB-ZCFIWIBFSA-N
MW289.23 g/mol
LogP-0.49
Rot. Bonds5

About [(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid

[(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid (PubChem CID 137093511) has the molecular formula C9H16N5O4P and a molecular weight of 289.23 g/mol. Its IUPAC name is [(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid
PubChem CID137093511
Molecular FormulaC9H16N5O4P
Molecular Weight289.23 g/mol
Exact Mass289.09
IUPAC Name[(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid
SMILESC[C@H](Cn1cnc2c1NCN=C2N)OCP(=O)(O)O
InChIInChI=1S/C9H16N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h4,6,12H,2-3,5H2,1H3,(H2,10,11)(H2,15,16,17)/t6-/m1/s1
InChIKeyPTJYTMIDEAMWOB-ZCFIWIBFSA-N
XLogP-0.49
TPSA134.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid?
The IUPAC name of [(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid (CID 137093511) is [(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid.
What is the SMILES notation for [(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid?
The canonical SMILES for [(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid is C[C@H](Cn1cnc2c1NCN=C2N)OCP(=O)(O)O.
What is the InChIKey of [(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid?
The InChIKey is PTJYTMIDEAMWOB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h4,6,12H,2-3,5H2,1H3,(H2,10,11)(H2,15,16,17)/t6-/m1/s1.
What are the key properties of [(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid?
[(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid has a molecular weight of 289.23 g/mol, XLogP of -0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yl]oxymethylphosphonic acid is sourced from PubChem (CID 137093511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).