[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

C67H104N10O7Si5 — CID 102387740

IUPAC[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-n4cc(Cc5cn(-c6ncnc7c6ncn7[C@H]6C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O6)c6ccccc56)c5ccccc54)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C67H104N10O7Si5/c1-63(2,3)85(16,17)78-38-51-50(82-87(20,21)65(7,8)9)35-53(80-51)76-42-72-54-58(68-40-70-60(54)76)74-36-44(46-30-26-28-32-48(46)74)34-45-37-75(49-33-29-27-31-47(45)49)59-55-61(71-41-69-59)77(43-73-55)62-57(84-89(24,25)67(13,14)15)56(83-88(22,23)66(10,11)12)52(81-62)39-79-86(18,19)64(4,5)6/h26-33,36-37,40-43,50-53,56-57,62H,34-35,38-39H2,1-25H3/t50-,51+,52+,53+,56+,57+,62+/m0/s1
InChIKeyDNXFCVCGMJNMJC-RVHAQWNKSA-N
MW1302.06 g/mol
LogP16.84
Rot. Bonds18

About [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 102387740) has the molecular formula C67H104N10O7Si5 and a molecular weight of 1302.06 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID102387740
Molecular FormulaC67H104N10O7Si5
Molecular Weight1302.06 g/mol
Exact Mass1300.69
IUPAC Name[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-n4cc(Cc5cn(-c6ncnc7c6ncn7[C@H]6C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O6)c6ccccc56)c5ccccc54)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C67H104N10O7Si5/c1-63(2,3)85(16,17)78-38-51-50(82-87(20,21)65(7,8)9)35-53(80-51)76-42-72-54-58(68-40-70-60(54)76)74-36-44(46-30-26-28-32-48(46)74)34-45-37-75(49-33-29-27-31-47(45)49)59-55-61(71-41-69-59)77(43-73-55)62-57(84-89(24,25)67(13,14)15)56(83-88(22,23)66(10,11)12)52(81-62)39-79-86(18,19)64(4,5)6/h26-33,36-37,40-43,50-53,56-57,62H,34-35,38-39H2,1-25H3/t50-,51+,52+,53+,56+,57+,62+/m0/s1
InChIKeyDNXFCVCGMJNMJC-RVHAQWNKSA-N
XLogP16.84
TPSA161.67 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001302.06
LogP ≤ 516.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(2R,3S,5R)-5-[6-(benzotriazol-1-yl)purin-9-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 24805985
tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane
CID 102387732
tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(6-ethenylpurin-9-yl)oxolan-2-yl]methoxy]-dimethylsilane
CID 171812020
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(5-phenyltriazol-1-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 46210058
tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[6-[2-(2-methylphenyl)ethynyl]purin-9-yl]oxolan-3-yl]oxy-dimethylsilane
CID 101463064
N-benzyl-9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine
CID 135015311
9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-cyclopentylpurin-6-amine
CID 135015562
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-(oxiran-2-yl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 25136518
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11828548
2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol
CID 59408165
[2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]phenyl] acetate
CID 71817733
[(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol
CID 24895803

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 102387740) is [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-n4cc(Cc5cn(-c6ncnc7c6ncn7[C@H]6C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O6)c6ccccc56)c5ccccc54)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is DNXFCVCGMJNMJC-RVHAQWNKSA-N. The full InChI is InChI=1S/C67H104N10O7Si5/c1-63(2,3)85(16,17)78-38-51-50(82-87(20,21)65(7,8)9)35-53(80-51)76-42-72-54-58(68-40-70-60(54)76)74-36-44(46-30-26-28-32-48(46)74)34-45-37-75(49-33-29-27-31-47(45)49)59-55-61(71-41-69-59)77(43-73-55)62-57(84-89(24,25)67(13,14)15)56(83-88(22,23)66(10,11)12)52(81-62)39-79-86(18,19)64(4,5)6/h26-33,36-37,40-43,50-53,56-57,62H,34-35,38-39H2,1-25H3/t50-,51+,52+,53+,56+,57+,62+/m0/s1.
What are the key properties of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 1302.06 g/mol, XLogP of 16.84, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-[3-[[1-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]indol-3-yl]methyl]indol-1-yl]purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102387740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).