9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one

C32H30N4O5 — CID 73236689

IUPAC9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one
SMILESC=CCn1cnc2c(ncn2C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C(O)C2O)c1=O
InChIInChI=1S/C32H30N4O5/c1-2-18-35-20-34-29-26(30(35)39)33-21-36(29)31-28(38)27(37)25(41-31)19-40-32(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h2-17,20-21,25,27-28,31,37-38H,1,18-19H2
InChIKeyWUKAFOPIIOGNJA-UHFFFAOYSA-N
MW550.62 g/mol
LogP3.41
Rot. Bonds9

About 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one

9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one (PubChem CID 73236689) has the molecular formula C32H30N4O5 and a molecular weight of 550.62 g/mol. Its IUPAC name is 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one.

Molecular Properties

Compound Name9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one
PubChem CID73236689
Molecular FormulaC32H30N4O5
Molecular Weight550.62 g/mol
Exact Mass550.22
IUPAC Name9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one
SMILESC=CCn1cnc2c(ncn2C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C(O)C2O)c1=O
InChIInChI=1S/C32H30N4O5/c1-2-18-35-20-34-29-26(30(35)39)33-21-36(29)31-28(38)27(37)25(41-31)19-40-32(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h2-17,20-21,25,27-28,31,37-38H,1,18-19H2
InChIKeyWUKAFOPIIOGNJA-UHFFFAOYSA-N
XLogP3.41
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.62
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one 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

9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-propylpurin-6-one
CID 73236688
1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one
CID 73236705
9-[(2S,3S,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one
CID 136918250
2-[9-[(2S,3S,4R,5S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-6-oxopurin-1-yl]ethyl benzoate
CID 156579673
(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-imidazo[2,1-f]purin-3-yloxolane-3,4-diol
CID 135368424
(2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol
CID 22861951
(2R,3R,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol
CID 11803319
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(3-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 23543114
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-(2-hydroxy-2-phenylethyl)purin-6-one
CID 102315813
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 22795074
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1-propylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 11111915
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163284979

Frequently Asked Questions

What is the IUPAC name of 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one?
The IUPAC name of 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one (CID 73236689) is 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one.
What is the SMILES notation for 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one?
The canonical SMILES for 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one is C=CCn1cnc2c(ncn2C2OC(COC(c3ccccc3)(c3ccccc3)c3ccccc3)C(O)C2O)c1=O.
What is the InChIKey of 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one?
The InChIKey is WUKAFOPIIOGNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O5/c1-2-18-35-20-34-29-26(30(35)39)33-21-36(29)31-28(38)27(37)25(41-31)19-40-32(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h2-17,20-21,25,27-28,31,37-38H,1,18-19H2.
What are the key properties of 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one?
9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one has a molecular weight of 550.62 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one is sourced from PubChem (CID 73236689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).