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C14-SPM

CAT: 0127-BIPG2319-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG2319-03Size:25 mg
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CAS Number
2241864-59-3
Purity
95%
Smiles
CCCCCCCCCCCCC (CN (CCCCN (CCCN (CC (CCCCCCCCCCCC) O) CC (CCCCCCCCCCCC) O) CC (CCCCCCCCCCCC) O) CCCN (CC (CCCCCCCCCCCC) O) CC (CCCCCCCCCCCC) O) O

Chemical Information

1-[3-[Bis(2-hydroxytetradecyl)amino]propyl-[4-[3-[bis(2-hydroxytetradecyl)amino]propyl-(2-hydroxytetradecyl)amino]butyl]amino]tetradecan-2-ol
CAS Number2241864-59-3
PubChem CID169491080
IUPAC Name1-[3-[bis(2-hydroxytetradecyl)amino]propyl-[4-[3-[bis(2-hydroxytetradecyl)amino]propyl-(2-hydroxytetradecyl)amino]butyl]amino]tetradecan-2-ol
Molecular FormulaC94H194N4O6
Molecular Weight1476.6
XLogP34.8
Topological Polar Surface Area134
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count91
Heavy Atom Count104
Formal Charge0
Complexity1410
SMILES
CCCCCCCCCCCCC(CN(CCCCN(CCCN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)CCCN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)O
InChI
InChI=1S/C94H194N4O6/c1-7-13-19-25-31-37-43-49-55-61-71-89(99)83-95(79-69-81-97(85-91(101)73-63-57-51-45-39-33-27-21-15-9-3)86-92(102)74-64-58-52-46-40-34-28-22-16-10-4)77-67-68-78-96(84-90(100)72-62-56-50-44-38-32-26-20-14-8-2)80-70-82-98(87-93(103)75-65-59-53-47-41-35-29-23-17-11-5)88-94(104)76-66-60-54-48-42-36-30-24-18-12-6/h89-94,99-104H,7-88H2,1-6H3
InChIKey
WIDGAQNJZVOCPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[3-[Bis(2-hydroxytetradecyl)amino]propyl-[4-[3-[bis(2-hydroxytetradecyl)amino]propyl-(2-hydroxytetradecyl)amino]butyl]amino]tetradecan-2-ol
CAS: 2241864-59-3
CID: 169491080
Formula: C94H194N4O6
MW: 1476.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1476.6
XLogP334.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count91
Exact Mass1476.50319476
Monoisotopic Mass1475.49983992
Topological Polar Surface Area134 Ų
Heavy Atom Count104
Formal Charge0
Complexity1410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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