disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate

C22H46N2Na2O9Si4 — CID 59172334

IUPACdisodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCN(CCNC(=O)CCC(=O)[O-])C(=O)CCC(=O)[O-])O[Si](C)(C)C.[Na+].[Na+]
InChIInChI=1S/C22H48N2O9Si4.2Na/c1-34(2,3)31-36(7,8)33-37(9,32-35(4,5)6)18-10-16-24(20(26)12-14-22(29)30)17-15-23-19(25)11-13-21(27)28;;/h10-18H2,1-9H3,(H,23,25)(H,27,28)(H,29,30);;/q;2*+1/p-2
InChIKeyQASQBWBCGSNRPP-UHFFFAOYSA-L
MW640.94 g/mol
LogP-5.12
Rot. Bonds19

About disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate

disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate (PubChem CID 59172334) has the molecular formula C22H46N2Na2O9Si4 and a molecular weight of 640.94 g/mol. Its IUPAC name is disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Namedisodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate
PubChem CID59172334
Molecular FormulaC22H46N2Na2O9Si4
Molecular Weight640.94 g/mol
Exact Mass640.21
IUPAC Namedisodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCN(CCNC(=O)CCC(=O)[O-])C(=O)CCC(=O)[O-])O[Si](C)(C)C.[Na+].[Na+]
InChIInChI=1S/C22H48N2O9Si4.2Na/c1-34(2,3)31-36(7,8)33-37(9,32-35(4,5)6)18-10-16-24(20(26)12-14-22(29)30)17-15-23-19(25)11-13-21(27)28;;/h10-18H2,1-9H3,(H,23,25)(H,27,28)(H,29,30);;/q;2*+1/p-2
InChIKeyQASQBWBCGSNRPP-UHFFFAOYSA-L
XLogP-5.12
TPSA157.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.94
LogP ≤ 5-5.12
H-Bond Donors ≤ 51
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 disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate?
The IUPAC name of disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate (CID 59172334) is disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate.
What is the SMILES notation for disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate?
The canonical SMILES for disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCN(CCNC(=O)CCC(=O)[O-])C(=O)CCC(=O)[O-])O[Si](C)(C)C.[Na+].[Na+].
What is the InChIKey of disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate?
The InChIKey is QASQBWBCGSNRPP-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H48N2O9Si4.2Na/c1-34(2,3)31-36(7,8)33-37(9,32-35(4,5)6)18-10-16-24(20(26)12-14-22(29)30)17-15-23-19(25)11-13-21(27)28;;/h10-18H2,1-9H3,(H,23,25)(H,27,28)(H,29,30);;/q;2*+1/p-2.
What are the key properties of disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate?
disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate has a molecular weight of 640.94 g/mol, XLogP of -5.12, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4-[2-[3-carboxylatopropanoyl-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propyl]amino]ethylamino]-4-oxobutanoate is sourced from PubChem (CID 59172334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).