9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine

C34H65N5O3Si2Sn — CID 12994316

IUPAC9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine
SMILESCCCC[Sn](/C=C1\O[C@@H](n2cnc3c(N)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C22H38N5O3Si2.3C4H9.Sn/c1-14-16(29-31(8,9)21(2,3)4)17(30-32(10,11)22(5,6)7)20(28-14)27-13-26-15-18(23)24-12-25-19(15)27;3*1-3-4-2;/h1,12-13,16-17,20H,2-11H3,(H2,23,24,25);3*1,3-4H2,2H3;/t16-,17-,20-;;;;/m1..../s1
InChIKeyOKJWGCYZBPZPCV-VGJFASETSA-N
MW766.81 g/mol
LogP9.99
Rot. Bonds15

About 9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine

9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine (PubChem CID 12994316) has the molecular formula C34H65N5O3Si2Sn and a molecular weight of 766.81 g/mol. Its IUPAC name is 9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine
PubChem CID12994316
Molecular FormulaC34H65N5O3Si2Sn
Molecular Weight766.81 g/mol
Exact Mass767.36
IUPAC Name9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine
SMILESCCCC[Sn](/C=C1\O[C@@H](n2cnc3c(N)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C22H38N5O3Si2.3C4H9.Sn/c1-14-16(29-31(8,9)21(2,3)4)17(30-32(10,11)22(5,6)7)20(28-14)27-13-26-15-18(23)24-12-25-19(15)27;3*1-3-4-2;/h1,12-13,16-17,20H,2-11H3,(H2,23,24,25);3*1,3-4H2,2H3;/t16-,17-,20-;;;;/m1..../s1
InChIKeyOKJWGCYZBPZPCV-VGJFASETSA-N
XLogP9.99
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.81
LogP ≤ 59.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine 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-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 163886301
9-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(chloromethyl)oxolan-2-yl]purin-6-amine
CID 177352538
9-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydrofuran-2-yl]purin-6-amine
CID 11533052
9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 159630794
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolan-2-yl]methanol
CID 174057752
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-3-ol;N,N-diethylethanamine
CID 67863411
9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine
CID 163737131
9-[(2R,3R,4R,5R)-5-(azidomethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]purin-6-amine
CID 91182722
9-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enoxyoxolan-2-yl]purin-6-amine
CID 175677046
9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine
CID 162155117
methyl (2S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylate
CID 174010666
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] butanoate
CID 146018021

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine (CID 12994316) is 9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine is CCCC[Sn](/C=C1\O[C@@H](n2cnc3c(N)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of 9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine?
The InChIKey is OKJWGCYZBPZPCV-VGJFASETSA-N. The full InChI is InChI=1S/C22H38N5O3Si2.3C4H9.Sn/c1-14-16(29-31(8,9)21(2,3)4)17(30-32(10,11)22(5,6)7)20(28-14)27-13-26-15-18(23)24-12-25-19(15)27;3*1-3-4-2;/h1,12-13,16-17,20H,2-11H3,(H2,23,24,25);3*1,3-4H2,2H3;/t16-,17-,20-;;;;/m1..../s1.
What are the key properties of 9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine?
9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine has a molecular weight of 766.81 g/mol, XLogP of 9.99, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3R,4S,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(tributylstannylmethylidene)oxolan-2-yl]purin-6-amine is sourced from PubChem (CID 12994316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).