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

C33H32N4O5 — CID 73236705

IUPAC1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one
SMILESO=c1c2ncn(C3OC(COC(c4ccccc4)(c4ccccc4)c4ccccc4)C(O)C3O)c2ncn1CC1CC1
InChIInChI=1S/C33H32N4O5/c38-28-26(42-32(29(28)39)37-21-34-27-30(37)35-20-36(31(27)40)18-22-16-17-22)19-41-33(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,20-22,26,28-29,32,38-39H,16-19H2
InChIKeyUTXUWUTZGDAURC-UHFFFAOYSA-N
MW564.64 g/mol
LogP3.63
Rot. Bonds9

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

1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one (PubChem CID 73236705) has the molecular formula C33H32N4O5 and a molecular weight of 564.64 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one
PubChem CID73236705
Molecular FormulaC33H32N4O5
Molecular Weight564.64 g/mol
Exact Mass564.24
IUPAC Name1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one
SMILESO=c1c2ncn(C3OC(COC(c4ccccc4)(c4ccccc4)c4ccccc4)C(O)C3O)c2ncn1CC1CC1
InChIInChI=1S/C33H32N4O5/c38-28-26(42-32(29(28)39)37-21-34-27-30(37)35-20-36(31(27)40)18-22-16-17-22)19-41-33(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,20-22,26,28-29,32,38-39H,16-19H2
InChIKeyUTXUWUTZGDAURC-UHFFFAOYSA-N
XLogP3.63
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.64
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-propylpurin-6-one
CID 73236688
9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-1-prop-2-enylpurin-6-one
CID 73236689
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,4R,5R)-5-(6-chloropurin-9-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-ol
CID 11803319
(2R,3R,4S,5R)-2-(2-fluoropurin-9-yl)-5-(trityloxymethyl)oxolane-3,4-diol
CID 22861951
(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
9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-1-propylpurin-6-one
CID 166650073
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one?
The IUPAC name of 1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one (CID 73236705) is 1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one?
The canonical SMILES for 1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one is O=c1c2ncn(C3OC(COC(c4ccccc4)(c4ccccc4)c4ccccc4)C(O)C3O)c2ncn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one?
The InChIKey is UTXUWUTZGDAURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O5/c38-28-26(42-32(29(28)39)37-21-34-27-30(37)35-20-36(31(27)40)18-22-16-17-22)19-41-33(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,20-22,26,28-29,32,38-39H,16-19H2.
What are the key properties of 1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one?
1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one has a molecular weight of 564.64 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]purin-6-one is sourced from PubChem (CID 73236705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).