9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine

C44H53N5O2Si2 — CID 18657707

IUPAC9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine
SMILESCC(C)(C)[Si](OC[C@H]1CC[C@@H](n2cnc3c(N)ncnc32)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H53N5O2Si2/c1-43(2,3)52(34-19-11-7-12-20-34,35-21-13-8-14-22-35)50-29-33-27-28-39(49-32-48-40-41(45)46-31-47-42(40)49)38(33)30-51-53(44(4,5)6,36-23-15-9-16-24-36)37-25-17-10-18-26-37/h7-26,31-33,38-39H,27-30H2,1-6H3,(H2,45,46,47)/t33-,38-,39-/m1/s1
InChIKeyUXZBOAZHMAQYSR-SWBVYJIISA-N
MW740.11 g/mol
LogP7.13
Rot. Bonds11

About 9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine

9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine (PubChem CID 18657707) has the molecular formula C44H53N5O2Si2 and a molecular weight of 740.11 g/mol. Its IUPAC name is 9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine.

Molecular Properties

Compound Name9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine
PubChem CID18657707
Molecular FormulaC44H53N5O2Si2
Molecular Weight740.11 g/mol
Exact Mass739.37
IUPAC Name9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine
SMILESCC(C)(C)[Si](OC[C@H]1CC[C@@H](n2cnc3c(N)ncnc32)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H53N5O2Si2/c1-43(2,3)52(34-19-11-7-12-20-34,35-21-13-8-14-22-35)50-29-33-27-28-39(49-32-48-40-41(45)46-31-47-42(40)49)38(33)30-51-53(44(4,5)6,36-23-15-9-16-24-36)37-25-17-10-18-26-37/h7-26,31-33,38-39H,27-30H2,1-6H3,(H2,45,46,47)/t33-,38-,39-/m1/s1
InChIKeyUXZBOAZHMAQYSR-SWBVYJIISA-N
XLogP7.13
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.11
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine with MolForge

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Related Compounds

methyl 2-[(1R,2S,4S)-4-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]acetate
CID 101357912
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3,4-diol
CID 11081703
(2R,5R)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolane-3,4-diol
CID 70810152
9-[(1S,3S,4S,5S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[3.1.0]hexanyl]purin-6-amine
CID 25150283
tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane
CID 134835032
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
9-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]purin-6-amine
CID 22297996
methyl 2-[(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-phenylmethoxyoxan-3-yl]acetate
CID 102161585
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868

Frequently Asked Questions

What is the IUPAC name of 9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine?
The IUPAC name of 9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine (CID 18657707) is 9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine.
What is the SMILES notation for 9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine?
The canonical SMILES for 9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine is CC(C)(C)[Si](OC[C@H]1CC[C@@H](n2cnc3c(N)ncnc32)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine?
The InChIKey is UXZBOAZHMAQYSR-SWBVYJIISA-N. The full InChI is InChI=1S/C44H53N5O2Si2/c1-43(2,3)52(34-19-11-7-12-20-34,35-21-13-8-14-22-35)50-29-33-27-28-39(49-32-48-40-41(45)46-31-47-42(40)49)38(33)30-51-53(44(4,5)6,36-23-15-9-16-24-36)37-25-17-10-18-26-37/h7-26,31-33,38-39H,27-30H2,1-6H3,(H2,45,46,47)/t33-,38-,39-/m1/s1.
What are the key properties of 9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine?
9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine has a molecular weight of 740.11 g/mol, XLogP of 7.13, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1R,2R,3S)-2,3-bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentyl]purin-6-amine is sourced from PubChem (CID 18657707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).