CID 46210188

C35H58N7O4Si3 — CID 46210188

IUPAC—
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-n4nncc4[C]4[CH][CH][CH][CH]4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H58N7O4Si3/c1-33(2,3)47(10,11)43-21-26-28(45-48(12,13)34(4,5)6)29(46-49(14,15)35(7,8)9)32(44-26)41-23-38-27-30(41)36-22-37-31(27)42-25(20-39-40-42)24-18-16-17-19-24/h16-20,22-23,26,28-29,32H,21H2,1-15H3/t26-,28-,29-,32-/m1/s1
InChIKeyAOLNJXWSUDCVNM-DWCTZGTLSA-N
MW725.15 g/mol
LogP7.86
Rot. Bonds10

About CID 46210188

CID 46210188 (PubChem CID 46210188) has the molecular formula C35H58N7O4Si3 and a molecular weight of 725.15 g/mol.

Molecular Properties

Compound NameCID 46210188
PubChem CID46210188
Molecular FormulaC35H58N7O4Si3
Molecular Weight725.15 g/mol
Exact Mass724.39
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-n4nncc4[C]4[CH][CH][CH][CH]4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H58N7O4Si3/c1-33(2,3)47(10,11)43-21-26-28(45-48(12,13)34(4,5)6)29(46-49(14,15)35(7,8)9)32(44-26)41-23-38-27-30(41)36-22-37-31(27)42-25(20-39-40-42)24-18-16-17-19-24/h16-20,22-23,26,28-29,32H,21H2,1-15H3/t26-,28-,29-,32-/m1/s1
InChIKeyAOLNJXWSUDCVNM-DWCTZGTLSA-N
XLogP7.86
TPSA111.23 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500725.15
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

[(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
[(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
9-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-[tert-butyl(dimethyl)silyl]purin-6-amine
CID 6429455
[(2R,3R,4R,5R)-5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 46211348
[5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 75149881
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-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11828548
1-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]propan-1-ol
CID 25136630
N-[9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]formamide
CID 169447560
9-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(chloromethyl)oxolan-2-yl]purin-6-amine
CID 177352538
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-[(2S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-N-(1-tert-butylsilolan-1-yl)purin-6-amine
CID 6429453

Frequently Asked Questions

What is the IUPAC name of CID 46210188?
The IUPAC name of CID 46210188 (CID 46210188) is not available.
What is the SMILES notation for CID 46210188?
The canonical SMILES for CID 46210188 is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-n4nncc4[C]4[CH][CH][CH][CH]4)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 CID 46210188?
The InChIKey is AOLNJXWSUDCVNM-DWCTZGTLSA-N. The full InChI is InChI=1S/C35H58N7O4Si3/c1-33(2,3)47(10,11)43-21-26-28(45-48(12,13)34(4,5)6)29(46-49(14,15)35(7,8)9)32(44-26)41-23-38-27-30(41)36-22-37-31(27)42-25(20-39-40-42)24-18-16-17-19-24/h16-20,22-23,26,28-29,32H,21H2,1-15H3/t26-,28-,29-,32-/m1/s1.
What are the key properties of CID 46210188?
CID 46210188 has a molecular weight of 725.15 g/mol, XLogP of 7.86, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46210188 is sourced from PubChem (CID 46210188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).