1,2-Di-1-(3,7,11,15-Tetramethyl-Hexadecane)-Sn-Glycero-3-Phosphate

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.

Acyclic diterpenoids

Organic compounds

Lipids and lipid-like molecules

Prenol lipids

Diterpenoids

Calculated Property

kind Value Source
logP 9.73 ALOGPS
logS -7.2 ALOGPS
Water Solubility 5.11e-05 g/l ALOGPS
logP 14.94 ChemAxon
IUPAC Name [(2S)-2-{[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propoxy]phosphonic acid ChemAxon
Traditional IUPAC Name (2S)-2-{[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propoxyphosphonic acid ChemAxon
Molecular Weight 733.1369 ChemAxon
Monoisotopic Weight 732.639677092 ChemAxon
SMILES CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@@H](COP(O)(O)=O)OCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ChemAxon
Molecular Formula C43H89O6P ChemAxon
InChI InChI=1S/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38+,39+,40-,41-,42+,43-/m0/s1 ChemAxon
InChIKey InChIKey=UKQGAMWGTOTQPC-NARORWSISA-N ChemAxon
Polar Surface Area (PSA) 85.22 ChemAxon
Refractivity 215.45 ChemAxon
Polarizability 94.11 ChemAxon
Rotatable Bond Count 36 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 1.25 ChemAxon
pKa (strongest basic) -3.9 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon