1.0
2019-08-08 03:43:01 UTC
2020-04-06 23:40:06 UTC
FDB041646
TG(i-24:0/20:0/a-21:0)[rac]
C68H132O6
1045.798
1045.00239197
(2S)-2-(icosanoyloxy)-3-[(18-methylicosanoyl)oxy]propyl 22-methyltricosanoate
(2S)-2-(icosanoyloxy)-3-[(18-methylicosanoyl)oxy]propyl 22-methyltricosanoate
[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC
InChI=1S/C68H132O6/c1-6-8-9-10-11-12-13-14-15-18-23-30-35-40-45-50-55-60-68(71)74-65(62-73-67(70)59-54-49-44-39-34-29-25-24-27-32-37-42-47-52-57-64(5)7-2)61-72-66(69)58-53-48-43-38-33-28-22-20-17-16-19-21-26-31-36-41-46-51-56-63(3)4/h63-65H,6-62H2,1-5H3/t64?,65-/m0/s1
FCEPMHBTCFCCMY-MZOVCEAQSA-N
logp
10.45
logs
-7.96
solubility
1.15e-05 g/l
logp
26.17
pka_strongest_basic
-6.6
iupac
(2S)-2-(icosanoyloxy)-3-[(18-methylicosanoyl)oxy]propyl 22-methyltricosanoate
average_mass
1045.798
mono_mass
1045.00239197
smiles
[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCC
formula
C68H132O6
inchi
InChI=1S/C68H132O6/c1-6-8-9-10-11-12-13-14-15-18-23-30-35-40-45-50-55-60-68(71)74-65(62-73-67(70)59-54-49-44-39-34-29-25-24-27-32-37-42-47-52-57-64(5)7-2)61-72-66(69)58-53-48-43-38-33-28-22-20-17-16-19-21-26-31-36-41-46-51-56-63(3)4/h63-65H,6-62H2,1-5H3/t64?,65-/m0/s1
inchikey
FCEPMHBTCFCCMY-MZOVCEAQSA-N
polar_surface_area
78.9
refractivity
319.4
polarizability
144.96
rotatable_bond_count
65
acceptor_count
3
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
196749
Specdb::MsMs
653395
Specdb::MsMs
653396
Specdb::MsMs
653397
Specdb::MsMs
2529126
Specdb::MsMs
2529127
Specdb::MsMs
2529128
Specdb::MsMs
2695314
Specdb::MsMs
2695315
Specdb::MsMs
2695316
Specdb::MsMs
2842626
Specdb::MsMs
2842627
Specdb::MsMs
2842628
Specdb::MsMs
2986480
Specdb::MsMs
2986481
Specdb::MsMs
2986482
Specdb::MsMs
3100851
Specdb::MsMs
3100852
Specdb::MsMs
3100853
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