1.0
2019-08-09 20:02:54 UTC
2020-04-06 23:40:24 UTC
FDB064973
DG(10:0/22:0/0:0)
C35H68O5
568.924
568.50667529
(2S)-1-(decanoyloxy)-3-hydroxypropan-2-yl docosanoate
(2S)-1-(decanoyloxy)-3-hydroxypropan-2-yl docosanoate
[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI=1S/C35H68O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
LILCXMJACQHTHI-XIFFEERXSA-N
logp
9.95
logs
-7.46
solubility
1.98e-05 g/l
logp
12
pka_strongest_acidic
14.58
pka_strongest_basic
-3
iupac
(2S)-1-(decanoyloxy)-3-hydroxypropan-2-yl docosanoate
average_mass
568.924
mono_mass
568.50667529
smiles
[H][C@](CO)(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
formula
C35H68O5
inchi
InChI=1S/C35H68O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
inchikey
LILCXMJACQHTHI-XIFFEERXSA-N
polar_surface_area
72.83
refractivity
167.7
polarizability
75.16
rotatable_bond_count
34
acceptor_count
3
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
49219
Specdb::CMs
282232
Specdb::CMs
365904
Specdb::MsMs
623113
Specdb::MsMs
623114
Specdb::MsMs
623115
Specdb::MsMs
2610494
Specdb::MsMs
2610495
Specdb::MsMs
2610496
Specdb::MsMs
2759309
Specdb::MsMs
2759310
Specdb::MsMs
2759311
Specdb::MsMs
2933022
Specdb::MsMs
2933023
Specdb::MsMs
2933024
Specdb::MsMs
2949822
Specdb::MsMs
2949823
Specdb::MsMs
2949824
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