1.0
2010-04-08 22:14:57 UTC
2015-07-21 06:44:33 UTC
FDB020319
Ammonium alginate
Stabiliser, emulsifier, thickener, formulation aid
Ammonium alginate
E403
C14H22O13
398.3167
398.10604079
3-[(6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
3-[(6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
9005-34-9
COC1OC(C(OC2OC(C(OC)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O
InChI=1S/C14H22O13/c1-23-7-3(15)6(18)14(27-9(7)11(19)20)25-8-4(16)5(17)13(24-2)26-10(8)12(21)22/h3-10,13-18H,1-2H3,(H,19,20)(H,21,22)
GKFPPCXIBHQRQT-UHFFFAOYSA-N
logp
-1.15
logs
-0.74
solubility
7.17e+01 g/l
logp
-2.8
pka_strongest_acidic
2.84
pka_strongest_basic
-3.7
iupac
3-[(6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
average_mass
398.3167
mono_mass
398.10604079
smiles
COC1OC(C(OC2OC(C(OC)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O
formula
C14H22O13
inchi
InChI=1S/C14H22O13/c1-23-7-3(15)6(18)14(27-9(7)11(19)20)25-8-4(16)5(17)13(24-2)26-10(8)12(21)22/h3-10,13-18H,1-2H3,(H,19,20)(H,21,22)
inchikey
GKFPPCXIBHQRQT-UHFFFAOYSA-N
polar_surface_area
201.67
refractivity
77.57
polarizability
35.46
rotatable_bond_count
6
acceptor_count
13
donor_count
6
physiological_charge
-2
formal_charge
0
Specdb::MsMs
58773
Specdb::MsMs
58774
Specdb::MsMs
58775
Specdb::MsMs
114783
Specdb::MsMs
114784
Specdb::MsMs
114785
Specdb::MsMs
3441166
Specdb::MsMs
3441167
Specdb::MsMs
3441168
Specdb::MsMs
3442096
Specdb::MsMs
3442097
Specdb::MsMs
3442098
Specdb::CMs
115433
Specdb::CMs
129789
Specdb::CMs
918670
Specdb::CMs
918671
Specdb::CMs
918672
Specdb::CMs
918673
Specdb::CMs
918674
Specdb::CMs
918675
Specdb::CMs
918676
Specdb::CMs
918677
Specdb::CMs
918678
Specdb::CMs
918679
Specdb::CMs
918680
Specdb::CMs
918681
Specdb::CMs
918682
Specdb::CMs
918683
Specdb::CMs
918684
Specdb::CMs
918685
Specdb::CMs
918686
Specdb::CMs
918687
Specdb::CMs
918688
Specdb::CMs
918689
Specdb::CMs
918690
Specdb::CMs
918691
Specdb::CMs
918692
odorless