[(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid

C10H14N5O3P — CID 15986887

IUPAC[(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid
SMILESNc1ncnc2c1ncn2C/C=C/CCP(=O)(O)O
InChIInChI=1S/C10H14N5O3P/c11-9-8-10(13-6-12-9)15(7-14-8)4-2-1-3-5-19(16,17)18/h1-2,6-7H,3-5H2,(H2,11,12,13)(H2,16,17,18)/b2-1+
InChIKeyJMUAMLDTUJBCES-OWOJBTEDSA-N
MW283.23 g/mol
LogP0.53
Rot. Bonds5

About [(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid

[(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid (PubChem CID 15986887) has the molecular formula C10H14N5O3P and a molecular weight of 283.23 g/mol. Its IUPAC name is [(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid
PubChem CID15986887
Molecular FormulaC10H14N5O3P
Molecular Weight283.23 g/mol
Exact Mass283.08
IUPAC Name[(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid
SMILESNc1ncnc2c1ncn2C/C=C/CCP(=O)(O)O
InChIInChI=1S/C10H14N5O3P/c11-9-8-10(13-6-12-9)15(7-14-8)4-2-1-3-5-19(16,17)18/h1-2,6-7H,3-5H2,(H2,11,12,13)(H2,16,17,18)/b2-1+
InChIKeyJMUAMLDTUJBCES-OWOJBTEDSA-N
XLogP0.53
TPSA127.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-(4-aminobut-2-enyl)purin-6-amine
CID 73233001
[(Z)-5-(2-amino-6-chloropurin-9-yl)pent-3-enyl]phosphonic acid
CID 88548050
2-[2-(6-aminopurin-9-yl)ethoxy]ethylphosphonic acid
CID 513622
9-[(E)-4-chlorobut-2-enyl]purin-6-amine
CID 14408818
[(E)-5-(2-amino-6-oxo-1H-purin-9-yl)pent-3-enyl]phosphonic acid
CID 135416385
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295
[(3R)-4-(6-aminopurin-9-yl)-3-hydroxybutyl]phosphonic acid
CID 146313430
[(2S)-3-(6-aminopurin-9-yl)-2-hydroxypropyl]phosphonic acid
CID 135336572
sodium;2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid;hydride
CID 175088142
[(E)-3-[(6-aminopurin-9-yl)methoxy]prop-1-enyl]phosphonic acid
CID 67880407
2-[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxyethylphosphonic acid;ethane
CID 143297032
[(E)-1-[(6-aminopurin-9-yl)methoxy]prop-1-enyl]phosphonic acid
CID 67880418

Frequently Asked Questions

What is the IUPAC name of [(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid?
The IUPAC name of [(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid (CID 15986887) is [(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid.
What is the SMILES notation for [(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid?
The canonical SMILES for [(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid is Nc1ncnc2c1ncn2C/C=C/CCP(=O)(O)O.
What is the InChIKey of [(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid?
The InChIKey is JMUAMLDTUJBCES-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H14N5O3P/c11-9-8-10(13-6-12-9)15(7-14-8)4-2-1-3-5-19(16,17)18/h1-2,6-7H,3-5H2,(H2,11,12,13)(H2,16,17,18)/b2-1+.
What are the key properties of [(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid?
[(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid has a molecular weight of 283.23 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(6-aminopurin-9-yl)pent-3-enyl]phosphonic acid is sourced from PubChem (CID 15986887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).