5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium)

C58H154N4O13Si10Y2 — CID 157410633

IUPAC5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium)
SMILESC.C.C.C.C.C.C.C.C.C.CC(CNCCCNC(=O)C(CC[Si](C)(C)O[Si](C)(C)CCCC(CC(=O)NCCNCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)C(=O)O)CC(=O)O)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.[Y].[Y]
InChIInChI=1S/C48H114N4O13Si10.10CH4.2Y/c1-41(39-74(23,61-68(9,10)11)64-72(19,20)59-66(3,4)5)37-49-29-26-30-52-47(56)43(36-46(54)55)28-34-71(17,18)63-70(15,16)33-25-27-44(48(57)58)35-45(53)51-32-31-50-38-42(2)40-75(24,62-69(12,13)14)65-73(21,22)60-67(6,7)8;;;;;;;;;;;;/h41-44,49-50H,25-40H2,1-24H3,(H,51,53)(H,52,56)(H,54,55)(H,57,58);10*1H4;;
InChIKeyBOGADIOWEZAELB-UHFFFAOYSA-N
MW1574.56 g/mol
LogP17.18
Rot. Bonds42

About 5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium)

5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium) (PubChem CID 157410633) has the molecular formula C58H154N4O13Si10Y2 and a molecular weight of 1574.56 g/mol. Its IUPAC name is 5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium).

Molecular Properties

Compound Name5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium)
PubChem CID157410633
Molecular FormulaC58H154N4O13Si10Y2
Molecular Weight1574.56 g/mol
Exact Mass1572.73
IUPAC Name5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium)
SMILESC.C.C.C.C.C.C.C.C.C.CC(CNCCCNC(=O)C(CC[Si](C)(C)O[Si](C)(C)CCCC(CC(=O)NCCNCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)C(=O)O)CC(=O)O)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.[Y].[Y]
InChIInChI=1S/C48H114N4O13Si10.10CH4.2Y/c1-41(39-74(23,61-68(9,10)11)64-72(19,20)59-66(3,4)5)37-49-29-26-30-52-47(56)43(36-46(54)55)28-34-71(17,18)63-70(15,16)33-25-27-44(48(57)58)35-45(53)51-32-31-50-38-42(2)40-75(24,62-69(12,13)14)65-73(21,22)60-67(6,7)8;;;;;;;;;;;;/h41-44,49-50H,25-40H2,1-24H3,(H,51,53)(H,52,56)(H,54,55)(H,57,58);10*1H4;;
InChIKeyBOGADIOWEZAELB-UHFFFAOYSA-N
XLogP17.18
TPSA221.47 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds42
Heavy Atoms87
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001574.56
LogP ≤ 517.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium)?
The IUPAC name of 5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium) (CID 157410633) is 5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium).
What is the SMILES notation for 5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium)?
The canonical SMILES for 5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium) is C.C.C.C.C.C.C.C.C.C.CC(CNCCCNC(=O)C(CC[Si](C)(C)O[Si](C)(C)CCCC(CC(=O)NCCNCC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C)C(=O)O)CC(=O)O)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)C.[Y].[Y].
What is the InChIKey of 5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium)?
The InChIKey is BOGADIOWEZAELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H114N4O13Si10.10CH4.2Y/c1-41(39-74(23,61-68(9,10)11)64-72(19,20)59-66(3,4)5)37-49-29-26-30-52-47(56)43(36-46(54)55)28-34-71(17,18)63-70(15,16)33-25-27-44(48(57)58)35-45(53)51-32-31-50-38-42(2)40-75(24,62-69(12,13)14)65-73(21,22)60-67(6,7)8;;;;;;;;;;;;/h41-44,49-50H,25-40H2,1-24H3,(H,51,53)(H,52,56)(H,54,55)(H,57,58);10*1H4;;.
What are the key properties of 5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium)?
5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium) has a molecular weight of 1574.56 g/mol, XLogP of 17.18, 42 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(carboxymethyl)-4-[3-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]propylamino]-4-oxobutyl]-dimethylsilyl]oxy-dimethylsilyl]-2-[2-[2-[[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]-2-methylpropyl]amino]ethylamino]-2-oxoethyl]pentanoic acid;methane;bis(yttrium) is sourced from PubChem (CID 157410633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).