1.0
2019-08-16 03:13:04 UTC
2020-04-06 23:41:36 UTC
FDB077950
TG(17:0/15:0/16:0)
C51H98O6
807.339
806.736340876
(2R)-3-(hexadecanoyloxy)-2-(pentadecanoyloxy)propyl heptadecanoate
(2R)-3-(hexadecanoyloxy)-2-(pentadecanoyloxy)propyl heptadecanoate
[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m1/s1
PWWSYYRHLJAAAM-QSCHNALKSA-N
logp
10.59
logs
-7.84
solubility
1.16e-05 g/l
logp
18.92
pka_strongest_basic
-6.6
iupac
(2R)-3-(hexadecanoyloxy)-2-(pentadecanoyloxy)propyl heptadecanoate
average_mass
807.339
mono_mass
806.736340876
smiles
[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
formula
C51H98O6
inchi
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/t48-/m1/s1
inchikey
PWWSYYRHLJAAAM-QSCHNALKSA-N
polar_surface_area
78.9
refractivity
241.29
polarizability
109.18
rotatable_bond_count
50
acceptor_count
3
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
190892
Specdb::MsMs
616237
Specdb::MsMs
616238
Specdb::MsMs
616239
Specdb::MsMs
2649039
Specdb::MsMs
2649040
Specdb::MsMs
2649041
Specdb::MsMs
2662201
Specdb::MsMs
2662202
Specdb::MsMs
2662203
Specdb::MsMs
2827053
Specdb::MsMs
2827054
Specdb::MsMs
2827055
Specdb::MsMs
2851378
Specdb::MsMs
2851379
Specdb::MsMs
2851380
Specdb::MsMs
3102944
Specdb::MsMs
3102945
Specdb::MsMs
3102946
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