1.0
2019-08-08 06:24:14 UTC
2020-04-06 23:40:17 UTC
FDB043759
TG(8:0/10:0/a-25:0)[rac]
C46H88O6
737.204
736.658090554
(2S)-2-(decanoyloxy)-3-(octanoyloxy)propyl 22-methyltetracosanoate
(2S)-2-(decanoyloxy)-3-(octanoyloxy)propyl 22-methyltetracosanoate
[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC
InChI=1S/C46H88O6/c1-5-8-10-12-25-31-35-39-46(49)52-43(40-50-44(47)37-33-28-11-9-6-2)41-51-45(48)38-34-30-27-24-22-20-18-16-14-13-15-17-19-21-23-26-29-32-36-42(4)7-3/h42-43H,5-41H2,1-4H3/t42?,43-/m0/s1
CBBZPRLBXFFWSB-ZZLFMUNJSA-N
logp
10.37
logs
-7.78
solubility
1.22e-05 g/l
logp
16.54
pka_strongest_basic
-6.6
iupac
(2S)-2-(decanoyloxy)-3-(octanoyloxy)propyl 22-methyltetracosanoate
average_mass
737.204
mono_mass
736.658090554
smiles
[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC
formula
C46H88O6
inchi
InChI=1S/C46H88O6/c1-5-8-10-12-25-31-35-39-46(49)52-43(40-50-44(47)37-33-28-11-9-6-2)41-51-45(48)38-34-30-27-24-22-20-18-16-14-13-15-17-19-21-23-26-29-32-36-42(4)7-3/h42-43H,5-41H2,1-4H3/t42?,43-/m0/s1
inchikey
CBBZPRLBXFFWSB-ZZLFMUNJSA-N
polar_surface_area
78.9
refractivity
218.23
polarizability
98.35
rotatable_bond_count
44
acceptor_count
3
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
227215
Specdb::MsMs
628186
Specdb::MsMs
628187
Specdb::MsMs
628188
Specdb::MsMs
2412424
Specdb::MsMs
2412425
Specdb::MsMs
2412426
Specdb::MsMs
2436724
Specdb::MsMs
2436725
Specdb::MsMs
2436726
Specdb::MsMs
2549853
Specdb::MsMs
2549854
Specdb::MsMs
2549855
Specdb::MsMs
2636575
Specdb::MsMs
2636576
Specdb::MsMs
2636577
Specdb::MsMs
2866650
Specdb::MsMs
2866651
Specdb::MsMs
2866652
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823