[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid

C17H27N6O5P — CID 126568925

IUPAC[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid
SMILESC[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)N[C@H](C)C(=O)OC1CCCC1
InChIInChI=1S/C17H27N6O5P/c1-11(7-23-9-21-14-15(18)19-8-20-16(14)23)27-10-29(25,26)22-12(2)17(24)28-13-5-3-4-6-13/h8-9,11-13H,3-7,10H2,1-2H3,(H2,18,19,20)(H2,22,25,26)/t11-,12-/m1/s1
InChIKeyZMACPSGYMPGMNT-VXGBXAGGSA-N
MW426.41 g/mol
LogP1.42
Rot. Bonds9

About [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid

[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid (PubChem CID 126568925) has the molecular formula C17H27N6O5P and a molecular weight of 426.41 g/mol. Its IUPAC name is [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid.

Molecular Properties

Compound Name[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid
PubChem CID126568925
Molecular FormulaC17H27N6O5P
Molecular Weight426.41 g/mol
Exact Mass426.18
IUPAC Name[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid
SMILESC[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)N[C@H](C)C(=O)OC1CCCC1
InChIInChI=1S/C17H27N6O5P/c1-11(7-23-9-21-14-15(18)19-8-20-16(14)23)27-10-29(25,26)22-12(2)17(24)28-13-5-3-4-6-13/h8-9,11-13H,3-7,10H2,1-2H3,(H2,18,19,20)(H2,22,25,26)/t11-,12-/m1/s1
InChIKeyZMACPSGYMPGMNT-VXGBXAGGSA-N
XLogP1.42
TPSA154.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl (2R)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 166551668
[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]phosphonamidic acid
CID 155885364
cyclohexyl 2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]amino]phosphoryl]amino]-2-methylpropanoate
CID 137360708
cyclohexyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[(1-cyclopentyloxy-1-oxopropan-2-yl)amino]phosphoryl]amino]-2-methylpropanoate
CID 137360515
propan-2-yl (2S)-3-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2S)-1-cyclopentyloxy-1-oxopropan-2-yl]amino]phosphoryl]amino]-2-methylpropanoate
CID 126578223
propan-2-yl (2S)-3-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]amino]phosphoryl]amino]-2-methylpropanoate
CID 126578227
propan-2-yl (3S)-3-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(2R)-1-cyclobutyloxy-1-oxopropan-2-yl]amino]phosphoryl]amino]butanoate
CID 126568832
cyclopentyl 2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(1-cyclopentyloxy-2-methyl-1-oxopropan-2-yl)amino]phosphoryl]amino]-2-methylpropanoate
CID 162724806
propyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[(1-cyclobutyloxy-1-oxopropan-2-yl)amino]phosphoryl]amino]-2-methylpropanoate
CID 137360467
(E)-but-2-enedioic acid;cyclobutyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-phenoxyphosphoryl]amino]propanoate
CID 138556257
propan-2-yl 2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2S)-1-cyclopentyloxy-1-oxopropan-2-yl]oxyphosphoryl]amino]-2-methylpropanoate
CID 138686089
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;N-propan-2-ylpropan-2-amine
CID 46183708

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid?
The IUPAC name of [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid (CID 126568925) is [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid.
What is the SMILES notation for [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid?
The canonical SMILES for [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid is C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)N[C@H](C)C(=O)OC1CCCC1.
What is the InChIKey of [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid?
The InChIKey is ZMACPSGYMPGMNT-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H27N6O5P/c1-11(7-23-9-21-14-15(18)19-8-20-16(14)23)27-10-29(25,26)22-12(2)17(24)28-13-5-3-4-6-13/h8-9,11-13H,3-7,10H2,1-2H3,(H2,18,19,20)(H2,22,25,26)/t11-,12-/m1/s1.
What are the key properties of [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid?
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid has a molecular weight of 426.41 g/mol, XLogP of 1.42, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-N-[(2R)-1-cyclopentyloxy-1-oxopropan-2-yl]phosphonamidic acid is sourced from PubChem (CID 126568925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).