1.0
2019-08-09 21:45:31 UTC
2020-04-06 23:40:29 UTC
FDB065727
DG(a-17:0/15:0/0:0)
C35H68O5
568.924
568.50667529
(2S)-3-hydroxy-2-(pentadecanoyloxy)propyl 14-methylhexadecanoate
(2S)-3-hydroxy-2-(pentadecanoyloxy)propyl 14-methylhexadecanoate
[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC
InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-17-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-16-14-13-15-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m0/s1
LFYHDNSVTNRXFN-OBOZPERJSA-N
logp
9.89
logs
-7.41
solubility
2.21e-05 g/l
logp
11.85
pka_strongest_acidic
14.58
pka_strongest_basic
-3
iupac
(2S)-3-hydroxy-2-(pentadecanoyloxy)propyl 14-methylhexadecanoate
average_mass
568.924
mono_mass
568.50667529
smiles
[H][C@](CO)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCC
formula
C35H68O5
inchi
InChI=1S/C35H68O5/c1-4-6-7-8-9-10-11-12-17-20-23-26-29-35(38)40-33(30-36)31-39-34(37)28-25-22-19-16-14-13-15-18-21-24-27-32(3)5-2/h32-33,36H,4-31H2,1-3H3/t32?,33-/m0/s1
inchikey
LFYHDNSVTNRXFN-OBOZPERJSA-N
polar_surface_area
72.83
refractivity
167.65
polarizability
74.39
rotatable_bond_count
33
acceptor_count
3
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
49901
Specdb::CMs
282292
Specdb::CMs
365964
Specdb::MsMs
606415
Specdb::MsMs
606416
Specdb::MsMs
606417
Specdb::MsMs
2773121
Specdb::MsMs
2773122
Specdb::MsMs
2773123
Specdb::MsMs
2904963
Specdb::MsMs
2904964
Specdb::MsMs
2904965
Specdb::MsMs
3009019
Specdb::MsMs
3009020
Specdb::MsMs
3009021
Specdb::MsMs
3022602
Specdb::MsMs
3022603
Specdb::MsMs
3022604
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