[(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid

C14H24N5O6P — CID 144858442

IUPAC[(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid
SMILESCOCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(OC)nc(N)nc21
InChIInChI=1S/C14H24N5O6P/c1-10(24-9-26(20,21)25-6-4-5-22-2)7-19-8-16-11-12(19)17-14(15)18-13(11)23-3/h8,10H,4-7,9H2,1-3H3,(H,20,21)(H2,15,17,18)/t10-/m1/s1
InChIKeyHRAGRNHCFGCDJX-SNVBAGLBSA-N
MW389.35 g/mol
LogP1.02
Rot. Bonds11

About [(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid

[(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid (PubChem CID 144858442) has the molecular formula C14H24N5O6P and a molecular weight of 389.35 g/mol. Its IUPAC name is [(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid.

Molecular Properties

Compound Name[(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid
PubChem CID144858442
Molecular FormulaC14H24N5O6P
Molecular Weight389.35 g/mol
Exact Mass389.15
IUPAC Name[(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid
SMILESCOCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(OC)nc(N)nc21
InChIInChI=1S/C14H24N5O6P/c1-10(24-9-26(20,21)25-6-4-5-22-2)7-19-8-16-11-12(19)17-14(15)18-13(11)23-3/h8,10H,4-7,9H2,1-3H3,(H,20,21)(H2,15,17,18)/t10-/m1/s1
InChIKeyHRAGRNHCFGCDJX-SNVBAGLBSA-N
XLogP1.02
TPSA143.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
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

[(2R)-1-(2,6-diaminopurin-9-yl)propan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid
CID 46840933
[1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid;[(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid;[(2S)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid;[(2R)-1-(2,6-diaminopurin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(2-methoxyethoxy)phosphinic acid;[(2S)-1-(2,6-diaminopurin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid
CID 159367002
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(12-hydroxydodecoxy)phosphinic acid
CID 153308824
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid
CID 136617763
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(18-trimethylsilyloctadecoxy)phosphinic acid;azane
CID 175774143
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[3-(16,16,16-trifluorohexadecoxy)propoxy]phosphinic acid;azane
CID 166636153
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(4-methoxyphenoxy)phosphinic acid
CID 118214141
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-decoxyphosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-octadecoxyphosphinic acid;9-[(2R)-2-[[methyl(octoxy)phosphoryl]methoxy]propyl]purin-6-amine
CID 157454370
[1-(2,6-diaminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid
CID 11973994
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[3-[15-(trimethyl-λ4-sulfanyl)pentadec-14-ynoxy]propoxy]phosphinic acid
CID 167219507
[(2R)-1-(2,6-diaminopurin-9-yl)-3-methoxypropan-2-yl]oxymethyl-(2-octadecoxyethoxy)phosphinic acid
CID 56676422
6-chloro-9-[(2R)-2-(diethoxyphosphorylmethoxy)propyl]purin-2-amine
CID 118462107

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid?
The IUPAC name of [(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid (CID 144858442) is [(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid.
What is the SMILES notation for [(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid?
The canonical SMILES for [(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid is COCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(OC)nc(N)nc21.
What is the InChIKey of [(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid?
The InChIKey is HRAGRNHCFGCDJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H24N5O6P/c1-10(24-9-26(20,21)25-6-4-5-22-2)7-19-8-16-11-12(19)17-14(15)18-13(11)23-3/h8,10H,4-7,9H2,1-3H3,(H,20,21)(H2,15,17,18)/t10-/m1/s1.
What are the key properties of [(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid?
[(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid has a molecular weight of 389.35 g/mol, XLogP of 1.02, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-amino-6-methoxypurin-9-yl)propan-2-yl]oxymethyl-(3-methoxypropoxy)phosphinic acid is sourced from PubChem (CID 144858442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).