2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane

C18H32N5O5P — CID 156726763

IUPAC2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane
SMILESCC(Cn1cnc2c1NCN=C2N)OCP1OCC(CC=O)CO1.COC(C)C
InChIInChI=1S/C14H22N5O4P.C4H10O/c1-10(21-9-24-22-5-11(2-3-20)6-23-24)4-19-8-18-12-13(15)16-7-17-14(12)19;1-4(2)5-3/h3,8,10-11,17H,2,4-7,9H2,1H3,(H2,15,16);4H,1-3H3
InChIKeyWLVGPBNISDVNKT-UHFFFAOYSA-N
MW429.46 g/mol
LogP1.94
Rot. Bonds8

About 2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane

2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane (PubChem CID 156726763) has the molecular formula C18H32N5O5P and a molecular weight of 429.46 g/mol. Its IUPAC name is 2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane.

Molecular Properties

Compound Name2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane
PubChem CID156726763
Molecular FormulaC18H32N5O5P
Molecular Weight429.46 g/mol
Exact Mass429.21
IUPAC Name2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane
SMILESCC(Cn1cnc2c1NCN=C2N)OCP1OCC(CC=O)CO1.COC(C)C
InChIInChI=1S/C14H22N5O4P.C4H10O/c1-10(21-9-24-22-5-11(2-3-20)6-23-24)4-19-8-18-12-13(15)16-7-17-14(12)19;1-4(2)5-3/h3,8,10-11,17H,2,4-7,9H2,1H3,(H2,15,16);4H,1-3H3
InChIKeyWLVGPBNISDVNKT-UHFFFAOYSA-N
XLogP1.94
TPSA122.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 3-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]-2-methylpropanoate
CID 156726757
2-[2-[1-(6-Amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde
CID 156726764

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane?
The IUPAC name of 2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane (CID 156726763) is 2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane.
What is the SMILES notation for 2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane?
The canonical SMILES for 2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane is CC(Cn1cnc2c1NCN=C2N)OCP1OCC(CC=O)CO1.COC(C)C.
What is the InChIKey of 2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane?
The InChIKey is WLVGPBNISDVNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N5O4P.C4H10O/c1-10(21-9-24-22-5-11(2-3-20)6-23-24)4-19-8-18-12-13(15)16-7-17-14(12)19;1-4(2)5-3/h3,8,10-11,17H,2,4-7,9H2,1H3,(H2,15,16);4H,1-3H3.
What are the key properties of 2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane?
2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane has a molecular weight of 429.46 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(6-amino-2,3-dihydropurin-9-yl)propan-2-yloxymethyl]-1,3,2-dioxaphosphinan-5-yl]acetaldehyde;2-methoxypropane is sourced from PubChem (CID 156726763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).