1.0
2019-08-09 20:42:04 UTC
2020-04-06 23:40:26 UTC
FDB065286
DG(i-14:0/10:0/0:0)
C27H52O5
456.708
456.381474774
(2S)-2-(decanoyloxy)-3-hydroxypropyl 12-methyltridecanoate
(2S)-2-(decanoyloxy)-3-hydroxypropyl 12-methyltridecanoate
[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC
InChI=1S/C27H52O5/c1-4-5-6-7-10-15-18-21-27(30)32-25(22-28)23-31-26(29)20-17-14-12-9-8-11-13-16-19-24(2)3/h24-25,28H,4-23H2,1-3H3/t25-/m0/s1
GLEKUUMJBUOCAT-VWLOTQADSA-N
logp
8.03
logs
-6.63
solubility
1.06e-04 g/l
logp
8.29
pka_strongest_acidic
14.58
pka_strongest_basic
-3
iupac
(2S)-2-(decanoyloxy)-3-hydroxypropyl 12-methyltridecanoate
average_mass
456.708
mono_mass
456.381474774
smiles
[H][C@](CO)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC
formula
C27H52O5
inchi
InChI=1S/C27H52O5/c1-4-5-6-7-10-15-18-21-27(30)32-25(22-28)23-31-26(29)20-17-14-12-9-8-11-13-16-19-24(2)3/h24-25,28H,4-23H2,1-3H3/t25-/m0/s1
inchikey
GLEKUUMJBUOCAT-VWLOTQADSA-N
polar_surface_area
72.83
refractivity
130.84
polarizability
57.6
rotatable_bond_count
25
acceptor_count
3
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
49515
Specdb::CMs
133334
Specdb::CMs
141068
Specdb::MsMs
653029
Specdb::MsMs
653030
Specdb::MsMs
653031
Specdb::MsMs
2775290
Specdb::MsMs
2775291
Specdb::MsMs
2775292
Specdb::MsMs
2931495
Specdb::MsMs
2931496
Specdb::MsMs
2931497
Specdb::MsMs
3057023
Specdb::MsMs
3057024
Specdb::MsMs
3057025
Specdb::MsMs
3113405
Specdb::MsMs
3113406
Specdb::MsMs
3113407
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