n-Dodecyl phosphocholine-d25

Catalog	DGS861924552
CAS	861924-55-2
Structure
Synonyms	Dodecyl-D25-phosphocholine
IUPAC Name	[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosadeuterio-1-(trimethylazaniumyl)tetradecan-2-yl] hydrogen phosphate
Molecular Weight	376.6
Molecular Formula	C17H13D25NO4P
InChI	InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-17(16-18(2,3)4)22-23(19,20)21/h17H,5-16H2,1-4H3,(H-,19,20,21)/i1D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
InChI Key	JIEKULUKSDKCJM-JEYGRLBMSA-N
Purity	≥95%
Solubility	Soluble in water
Complexity	323
Conductance	<500 µS (1% solution in water)
Exact Mass	376.41076434
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(C[N+](C)(C)C)OP(=O)(O)[O-]
Monoisotopic Mass	376.41076434
pH	4-9 (1% solution in water)
Rotatable Bond Count	15
Topological Polar Surface Area	69.6 Ų
XLogP3-AA	4.6