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Chemical structure of DOTMA E-isomer

GB62263

DOTMA E-isomer

Also known as 2,3-bis[(E)-octadec-9-enoxy]propyl-trimethylazanium chloride

DOTMA E-isomer is a trans-isomer of DOTMA, in which two double bonds are trans-configuration (configuration of a geometrical isomer in which two groups are on opposite sides of an imaginary reference line on the molecule)

ChemicalCAS104872-42-6MW670.589FormulaC42H84ClNO2
CAS number
104872-42-6
Molecular weight
670.589
Formula
C42H84ClNO2
Solubility
DMSO ： 12·5 mg/mL (18·64 mM; ultrasonic and warming and heat to 60°C)
InChIKey
LDGWQMRUWMSZIU-AFLLVNNISA-M
Catalogue number
GB62263
Brand
GLPBIO
Computed properties PubChem CID 16730297 · TPSA 18.5 Ų · H-bond donors 0 · H-bond acceptors 3
TPSA
18.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
37
Heavy atoms
46

SMILES CCCCCCCC/C=C/CCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCC/C=C/CCCCCCCC.[Cl-]

Computed descriptors from PubChem (CID 16730297), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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