L-Sinigrin Monohydrate
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Product Description
Product
L-Sinigrin Monohydrate
CAS
3952-98-5
Formula
C10H16KNO9S2; C10H17NO9S2.K
Synonym
1-Thio-ß-D-glucopyranose 1-[N-(potassiooxysulfonyloxy)-3-buteneimidate]; 1-Thio-ß-D-glucopyranose 1-[N-(potassiosulfooxy)-3-buteneimidate]; beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-3-butenimidate), monopotassium salt (9ci); Ccris; SINIGRIN, NATURAL
Typical Product Specifications
Molecular weight
397.46
EINECS
223-545-8
SMILES
[K+].OC[C@H]1O[C@@H](S\C(=N/OS(=O)(=O)[O-])\CC=C)[C@H](O)[C@@H](O)[C@@H]1O
InChI
QKFAFSGJTMHRRY-FVDOMRANSA-M
InChIKey
1S/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6-;/t5-,7-,8+,9-,10+;/m1./s1
Atmospheric OH Rate Constant
1.96E-10 cm3/molecule-sec
log P (octanol-water)
-4.180
Class
L-Sinigrin Monohydrate
Product Description
Product
L-Sinigrin Monohydrate
CAS
3952-98-5
Formula
C10H16KNO9S2; C10H17NO9S2.K
Synonym
1-Thio-ß-D-glucopyranose 1-[N-(potassiooxysulfonyloxy)-3-buteneimidate]; 1-Thio-ß-D-glucopyranose 1-[N-(potassiosulfooxy)-3-buteneimidate]; beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-3-butenimidate), monopotassium salt (9ci); Ccris; SINIGRIN, NATURAL
Typical Product Specifications
Molecular weight
397.46
EINECS
223-545-8
SMILES
[K+].OC[C@H]1O[C@@H](S\C(=N/OS(=O)(=O)[O-])\CC=C)[C@H](O)[C@@H](O)[C@@H]1O
InChI
QKFAFSGJTMHRRY-FVDOMRANSA-M
InChIKey
1S/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6-;/t5-,7-,8+,9-,10+;/m1./s1
Atmospheric OH Rate Constant
1.96E-10 cm3/molecule-sec
log P (octanol-water)
-4.180
Class
