9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine

C29H27N5O2 — CID 18516769

IUPAC9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C29H27N5O2/c30-27-26-28(32-19-31-27)34(20-33-26)25-17-16-24(36-25)18-35-29(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,19-20,24-25H,16-18H2,(H2,30,31,32)
InChIKeyBYIIZMQUEVJGKY-UHFFFAOYSA-N
MW477.57 g/mol
LogP5.09
Rot. Bonds7

About 9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine

9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine (PubChem CID 18516769) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine
PubChem CID18516769
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC Name9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C29H27N5O2/c30-27-26-28(32-19-31-27)34(20-33-26)25-17-16-24(36-25)18-35-29(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,19-20,24-25H,16-18H2,(H2,30,31,32)
InChIKeyBYIIZMQUEVJGKY-UHFFFAOYSA-N
XLogP5.09
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-[(1S,2R,4R,5S)-4-(trityloxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10278142
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
(2S,3R,5S)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-ol
CID 124929697
[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxyphosphanylmethanol
CID 170179293
9-[5-(4H-1,3,2-benzodioxaphosphinin-2-yloxymethyl)oxolan-2-yl]purin-6-amine
CID 144900469
[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl methyl hydrogen phosphite
CID 138569278
acetylene;[5-(6-aminopurin-9-yl)oxolan-2-yl]methanol;methanol
CID 165130368
9-[(2R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-2-yl]-1-propylpurin-6-one
CID 166650073
2-[4-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methoxyphosphanyl]oxy-4-oxobutanoyl]benzoic acid
CID 145288504
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-oxo-sulfanylphosphanium
CID 177408767
9-[(2R,5S)-5-[2-[amino(hydroxy)phosphinothioyl]oxyethyl]oxolan-2-yl]purin-6-amine
CID 163488341
CID 131872177
CID 131872177

Frequently Asked Questions

What is the IUPAC name of 9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine (CID 18516769) is 9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine is Nc1ncnc2c1ncn2C1CCC(COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine?
The InChIKey is BYIIZMQUEVJGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c30-27-26-28(32-19-31-27)34(20-33-26)25-17-16-24(36-25)18-35-29(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,19-20,24-25H,16-18H2,(H2,30,31,32).
What are the key properties of 9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine?
9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine has a molecular weight of 477.57 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 18516769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).