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

C41H64N4O5Si3 — CID 139257485

IUPAC[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2)nc2c1ncn2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C41H64N4O5Si3/c1-39(2,3)51(11,12)47-26-31-33(49-52(13,14)40(4,5)6)34(50-53(15,16)41(7,8)9)38(48-31)45-27-42-32-36(45)43-35(44-37(32)46-10)30-24-20-23-29(25-30)28-21-18-17-19-22-28/h17-25,27,31,33-34,38H,26H2,1-16H3/t31-,33-,34-,38-/m1/s1
InChIKeyZZEWXAIZHOXIRE-CJEGOSRCSA-N
MW777.24 g/mol
LogP10.87
Rot. Bonds11

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

[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 139257485) has the molecular formula C41H64N4O5Si3 and a molecular weight of 777.24 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-methoxy-2-(3-phenylphenyl)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-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID139257485
Molecular FormulaC41H64N4O5Si3
Molecular Weight777.24 g/mol
Exact Mass776.42
IUPAC Name[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2)nc2c1ncn2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C41H64N4O5Si3/c1-39(2,3)51(11,12)47-26-31-33(49-52(13,14)40(4,5)6)34(50-53(15,16)41(7,8)9)38(48-31)45-27-42-32-36(45)43-35(44-37(32)46-10)30-24-20-23-29(25-30)28-21-18-17-19-22-28/h17-25,27,31,33-34,38H,26H2,1-16H3/t31-,33-,34-,38-/m1/s1
InChIKeyZZEWXAIZHOXIRE-CJEGOSRCSA-N
XLogP10.87
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.24
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-methoxy-2-(3-phenylphenyl)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-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 139257485) is [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-methoxy-2-(3-phenylphenyl)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-methoxy-2-(3-phenylphenyl)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-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is COc1nc(-c2cccc(-c3ccccc3)c2)nc2c1ncn2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[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-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is ZZEWXAIZHOXIRE-CJEGOSRCSA-N. The full InChI is InChI=1S/C41H64N4O5Si3/c1-39(2,3)51(11,12)47-26-31-33(49-52(13,14)40(4,5)6)34(50-53(15,16)41(7,8)9)38(48-31)45-27-42-32-36(45)43-35(44-37(32)46-10)30-24-20-23-29(25-30)28-21-18-17-19-22-28/h17-25,27,31,33-34,38H,26H2,1-16H3/t31-,33-,34-,38-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[6-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 777.24 g/mol, XLogP of 10.87, 11 rotatable bonds, 0 hydrogen bond donors, and 9 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-methoxy-2-(3-phenylphenyl)purin-9-yl]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 139257485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).