methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid

C12H19N4O6P — CID 126762134

IUPACmethoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid
SMILESCOC[C@H](Cn1cnc2c(OC)ncnc21)OCP(=O)(O)OC
InChIInChI=1S/C12H19N4O6P/c1-19-5-9(22-8-23(17,18)21-3)4-16-7-15-10-11(16)13-6-14-12(10)20-2/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)/t9-/m0/s1
InChIKeyQUECEKBBDQBGNF-VIFPVBQESA-N
MW346.28 g/mol
LogP0.66
Rot. Bonds9

About methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid

methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid (PubChem CID 126762134) has the molecular formula C12H19N4O6P and a molecular weight of 346.28 g/mol. Its IUPAC name is methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid.

Molecular Properties

Compound Namemethoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid
PubChem CID126762134
Molecular FormulaC12H19N4O6P
Molecular Weight346.28 g/mol
Exact Mass346.10
IUPAC Namemethoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid
SMILESCOC[C@H](Cn1cnc2c(OC)ncnc21)OCP(=O)(O)OC
InChIInChI=1S/C12H19N4O6P/c1-19-5-9(22-8-23(17,18)21-3)4-16-7-15-10-11(16)13-6-14-12(10)20-2/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)/t9-/m0/s1
InChIKeyQUECEKBBDQBGNF-VIFPVBQESA-N
XLogP0.66
TPSA117.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid?
The IUPAC name of methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid (CID 126762134) is methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid.
What is the SMILES notation for methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid?
The canonical SMILES for methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid is COC[C@H](Cn1cnc2c(OC)ncnc21)OCP(=O)(O)OC.
What is the InChIKey of methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid?
The InChIKey is QUECEKBBDQBGNF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N4O6P/c1-19-5-9(22-8-23(17,18)21-3)4-16-7-15-10-11(16)13-6-14-12(10)20-2/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)/t9-/m0/s1.
What are the key properties of methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid?
methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid has a molecular weight of 346.28 g/mol, XLogP of 0.66, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[[(2S)-1-methoxy-3-(6-methoxypurin-9-yl)propan-2-yl]oxymethyl]phosphinic acid is sourced from PubChem (CID 126762134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).