[(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol

C29H27N5O2 — CID 155660909

IUPAC[(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol
SMILESOC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2cnc3cncnc32)O1
InChIInChI=1S/C29H27N5O2/c35-19-25-17-33(18-27(36-25)34-21-32-26-16-30-20-31-28(26)34)29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-16,20-21,25,27,35H,17-19H2/t25-,27+/m0/s1
InChIKeyRGECTWZZXDBKQG-AHKZPQOWSA-N
MW477.57 g/mol
LogP4.01
Rot. Bonds6

About [(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol

[(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol (PubChem CID 155660909) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is [(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol
PubChem CID155660909
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC Name[(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol
SMILESOC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2cnc3cncnc32)O1
InChIInChI=1S/C29H27N5O2/c35-19-25-17-33(18-27(36-25)34-21-32-26-16-30-20-31-28(26)34)29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-16,20-21,25,27,35H,17-19H2/t25-,27+/m0/s1
InChIKeyRGECTWZZXDBKQG-AHKZPQOWSA-N
XLogP4.01
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.01
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

N-[9-[(2R,6S)-6-(hydroxymethyl)-4-tritylmorpholin-2-yl]purin-6-yl]acetamide
CID 166591210
N-[9-[6-(hydroxymethyl)-4-tritylmorpholin-2-yl]purin-6-yl]benzamide
CID 71572366
[(2S,4S)-2-purin-9-yl-1,3-dioxolan-4-yl]methanol
CID 70292310
benzaldehyde;ethane;9-[(2R,6S)-6-(methoxymethyl)-4-tritylmorpholin-2-yl]-N-methylpurin-6-amine;N-methylmethanamine
CID 166105400
N-[9-[(2R,6S)-6-[[chloro(dimethylamino)phosphanyl]oxymethyl]-4-tritylmorpholin-2-yl]purin-6-yl]acetamide
CID 166591212
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
CID 676112
9-[(2R,4S)-4-tert-butyl-5-(2,2-dimethylpropyl)oxolan-2-yl]purine
CID 174181937
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
CID 56980111
[5-[6-[(2-methyl-2-phenylpropyl)amino]purin-9-yl]oxolan-2-yl]methanol
CID 123399954
2-purin-9-ylcyclohexan-1-ol
CID 517723
2-methyl-N-[6-[(2-methylpropan-2-yl)oxy]-9-[(2R)-6-(sulfanyloxymethyl)-4-tritylmorpholin-2-yl]purin-2-yl]propanamide
CID 170719553
N-[9-[4-amino-6-(hydroxymethyl)morpholin-2-yl]purin-6-yl]benzamide
CID 146160672

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol?
The IUPAC name of [(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol (CID 155660909) is [(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol is OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2cnc3cncnc32)O1.
What is the InChIKey of [(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol?
The InChIKey is RGECTWZZXDBKQG-AHKZPQOWSA-N. The full InChI is InChI=1S/C29H27N5O2/c35-19-25-17-33(18-27(36-25)34-21-32-26-16-30-20-31-28(26)34)29(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-16,20-21,25,27,35H,17-19H2/t25-,27+/m0/s1.
What are the key properties of [(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol?
[(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol has a molecular weight of 477.57 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-6-purin-9-yl-4-tritylmorpholin-2-yl]methanol is sourced from PubChem (CID 155660909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).