azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate

C10H20N7O4P — CID 10688070

IUPACazanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate
SMILESCCOP(=O)([O-])COCCn1cnc2c(N)nc(N)nc21.[NH4+]
InChIInChI=1S/C10H17N6O4P.H3N/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16;/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15);1H3
InChIKeyOKRKSKSYWMCKGS-UHFFFAOYSA-N
MW333.29 g/mol
LogP-0.07
Rot. Bonds7

About azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate

azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate (PubChem CID 10688070) has the molecular formula C10H20N7O4P and a molecular weight of 333.29 g/mol. Its IUPAC name is azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate.

Molecular Properties

Compound Nameazanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate
PubChem CID10688070
Molecular FormulaC10H20N7O4P
Molecular Weight333.29 g/mol
Exact Mass333.13
IUPAC Nameazanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate
SMILESCCOP(=O)([O-])COCCn1cnc2c(N)nc(N)nc21.[NH4+]
InChIInChI=1S/C10H17N6O4P.H3N/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16;/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15);1H3
InChIKeyOKRKSKSYWMCKGS-UHFFFAOYSA-N
XLogP-0.07
TPSA190.73 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-9-[2-(dipropoxyphosphorylmethoxy)ethyl]purin-2-amine
CID 89383791
2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol
CID 143078293
9-[2-[[amino(ethoxy)phosphoryl]methoxy]ethyl]-6-N-prop-2-enylpurine-2,6-diamine
CID 143387019
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
2-(2-amino-6-chloropurin-9-yl)ethoxymethyl-methoxyphosphinic acid
CID 167008984
sodium [(2S)-1-(2,6-diaminopurin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinate
CID 56676423
2-[2-amino-6-(prop-2-enylamino)purin-9-yl]ethoxymethyl-ethoxyphosphinic acid;2-methylpropane;propane
CID 143387020
2-(6-aminopurin-9-yl)ethoxymethyl-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate
CID 44581912
[2-(2-amino-6-propoxypurin-9-yl)ethoxymethyl-methylphosphoryl]oxymethyl propan-2-yl carbonate
CID 70986314
[(E)-4-(2,6-diaminopurin-9-yl)but-1-enyl]phosphonic acid
CID 6474330
[2-[2-(2,6-diaminopurin-9-yl)ethoxy]-4,4,4-trifluorobutan-2-yl]phosphonic acid
CID 70272477
2-[2-amino-6-(4-butoxyphenyl)sulfanylpurin-9-yl]ethoxymethylphosphonic acid
CID 24888133

Frequently Asked Questions

What is the IUPAC name of azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate?
The IUPAC name of azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate (CID 10688070) is azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate.
What is the SMILES notation for azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate?
The canonical SMILES for azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate is CCOP(=O)([O-])COCCn1cnc2c(N)nc(N)nc21.[NH4+].
What is the InChIKey of azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate?
The InChIKey is OKRKSKSYWMCKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N6O4P.H3N/c1-2-20-21(17,18)6-19-4-3-16-5-13-7-8(11)14-10(12)15-9(7)16;/h5H,2-4,6H2,1H3,(H,17,18)(H4,11,12,14,15);1H3.
What are the key properties of azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate?
azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate has a molecular weight of 333.29 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate is sourced from PubChem (CID 10688070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).