1.0
2019-08-08 07:09:08 UTC
2020-04-06 23:40:20 UTC
FDB044324
TG(10:0/10:0/20:0)
C43H82O6
695.123
694.61114036
(2S)-2,3-bis(decanoyloxy)propyl icosanoate
(2S)-2,3-bis(decanoyloxy)propyl icosanoate
[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC
InChI=1S/C43H82O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-28-30-33-36-42(45)48-39-40(49-43(46)37-34-31-27-15-12-9-6-3)38-47-41(44)35-32-29-26-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m0/s1
SAWQYMGKRRWFRC-FAIXQHPJSA-N
logp
10.22
logs
-7.73
solubility
1.30e-05 g/l
logp
15.37
pka_strongest_basic
-6.6
iupac
(2S)-2,3-bis(decanoyloxy)propyl icosanoate
average_mass
695.123
mono_mass
694.61114036
smiles
[H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC
formula
C43H82O6
inchi
InChI=1S/C43H82O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-28-30-33-36-42(45)48-39-40(49-43(46)37-34-31-27-15-12-9-6-3)38-47-41(44)35-32-29-26-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m0/s1
inchikey
SAWQYMGKRRWFRC-FAIXQHPJSA-N
polar_surface_area
78.9
refractivity
204.48
polarizability
92.28
rotatable_bond_count
42
acceptor_count
3
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsMs
620716
Specdb::MsMs
620717
Specdb::MsMs
620718
Specdb::MsMs
2546409
Specdb::MsMs
2546410
Specdb::MsMs
2546411
Specdb::MsMs
2704793
Specdb::MsMs
2704794
Specdb::MsMs
2704795
Specdb::MsMs
2754568
Specdb::MsMs
2754569
Specdb::MsMs
2754570
Specdb::MsMs
3004218
Specdb::MsMs
3004219
Specdb::MsMs
3004220
Specdb::MsMs
3027612
Specdb::MsMs
3027613
Specdb::MsMs
3027614
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