1.0
2019-08-09 22:33:10 UTC
2020-04-06 23:40:31 UTC
FDB066079
DG(i-20:0/10:0/0:0)
C33H64O5
540.87
540.475375161
(2S)-2-(decanoyloxy)-3-hydroxypropyl 18-methylnonadecanoate
(2S)-2-(decanoyloxy)-3-hydroxypropyl 18-methylnonadecanoate
[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC
InChI=1S/C33H64O5/c1-4-5-6-7-16-21-24-27-33(36)38-31(28-34)29-37-32(35)26-23-20-18-15-13-11-9-8-10-12-14-17-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m0/s1
VSRQLCZZFYMZIO-HKBQPEDESA-N
logp
9.47
logs
-7.33
solubility
2.53e-05 g/l
logp
10.96
pka_strongest_acidic
14.58
pka_strongest_basic
-3
iupac
(2S)-2-(decanoyloxy)-3-hydroxypropyl 18-methylnonadecanoate
average_mass
540.87
mono_mass
540.475375161
smiles
[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC
formula
C33H64O5
inchi
InChI=1S/C33H64O5/c1-4-5-6-7-16-21-24-27-33(36)38-31(28-34)29-37-32(35)26-23-20-18-15-13-11-9-8-10-12-14-17-19-22-25-30(2)3/h30-31,34H,4-29H2,1-3H3/t31-/m0/s1
inchikey
VSRQLCZZFYMZIO-HKBQPEDESA-N
polar_surface_area
72.83
refractivity
158.44
polarizability
70.59
rotatable_bond_count
31
acceptor_count
3
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
50109
Specdb::CMs
265371
Specdb::CMs
281437
Specdb::MsMs
658486
Specdb::MsMs
658487
Specdb::MsMs
658488
Specdb::MsMs
2417839
Specdb::MsMs
2417840
Specdb::MsMs
2417841
Specdb::MsMs
2823584
Specdb::MsMs
2823585
Specdb::MsMs
2823586
Specdb::MsMs
3037310
Specdb::MsMs
3037311
Specdb::MsMs
3037312
Specdb::MsMs
3107021
Specdb::MsMs
3107022
Specdb::MsMs
3107023
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