[1-[2-(Dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadec-9-enoate

HCID 102136

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Basic information

CAS: 1490-20-6
Standard SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C
InChIKey: ZSVMWQMKUKDZTH-UHFFFAOYSA-N
Molecular formula: C41H80NO8P
Average molar mass: 746 g/mol
Monoisotopic mass: 745.56215551

Names & identifiers

Preferred name: [1-[2-(Dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadec-9-enoate
IUPAC: [1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadec-9-enoate

Names & synonyms

[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadec-9-enoate1490-20-6(R)-1-[[(hexadecanoyl)oxy]methyl]-4-hydroxy-8-methyl-3,5-dioxa-8-aza-4-phosphanon-1-yl oleate P-oxide(R)-1-[[(hexadecanoyl)oxy]methyl]-4-hydroxy-8-methyl-3,5-dioxa-8-aza-4-phosphanon-1-yl oleate P-oxidNS00045022

Database identifiers

CAS: 1490-20-6
PubChem CID: 102136
EC Number: 216-076-5

Properties

Computed structural properties

XLogP: 11.4
Topological polar surface area: 112 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 41
Heavy atoms: 51
Formal charge: 0
Complexity: 869

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