Home > Name List By b > b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1)

CAS No 3952-98-5 , b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1)

  • Name: b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1)
  • Synonyms: Sinigrin (6CI); 2-Propenylglucosinolate; NSC 90774; b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-3-butenimidate], monopotassium salt (9CI);b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1); Sinigrine;Glucopyranose,1-thio-, 1-(3-butenoate), oxime, O-sulfate, potassium salt, b-D- (7CI); Allyl glucosinolate potassium; Glucopyranose,1-thio-, 1-(3-butenohydroximate) NO-(hydrogen sulfate), monopotassium salt, b-D- (8CI); NSC 407279;
  • CAS Registry Number:
  • Melting Point: 128 (dec.)(lit.)
  • Flash Point: °C
  • Boiling Point: °Cat760mmHg
  • Density: g/cm3
  • Water Solubility: freely soluble in water
  • Safety Statements: S24/25
  • Flash Point: °C
  • EINECS: 223-545-8
  • Molecular Weight: 397.46
  • InChI: InChI=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
  • Risk Statements: S24/25 :Avoid contact with skin and eyes.;
  • Molecular Formula: C10H16KNO9S2
  • Molecular Structure:CAS No:3952-98-5 b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1)

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3952-98-5 SINIGRIN

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3952-98-5 SINIGRIN MONOHYDRATE

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3952-98-5 b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1)

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3952-98-5 SINIGRIN

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3952-98-5 SINIGRIN HPLC GRADE

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3952-98-5 (-)-SINIGRIN, HYDRATE

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3952-98-5 (-)-SINIGRIN HYDRATE

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References of b-D-Glucopyranose, 1-thio-,1-[N-(sulfooxy)-3-butenimidate], potassium salt (1:1)
Title: Sinigrin
CAS Registry Number: 3952-98-5
CAS Name: 1-Thio-b-D-glucopyranose 1-[N-(sulfooxy)-3-butenimidate] monopotassium salt
Synonyms: sinigroside; myronate potassium; potassium myronate; allyl glucosinolate
Molecular Formula: C10H16KNO9S2
Molecular Weight: 397.46
Percent Composition: C 30.22%, H 4.06%, K 9.84%, N 3.52%, O 36.23%, S 16.13%
Literature References: A b-glucopyranoside isolated from black mustard seeds and from the horseradish root Alliaria officinalis Andrz., Cruciferae: A. Bussy, J. Pharm. Chim. 26, 39 (1840); Gadamer, Arch. Pharm. 235, 44 (1897); Stoll, Seebeck, Helv. Chim. Acta 31, 1432 (1948). Structure: Ettlinger, Lundeen, J. Am. Chem. Soc. 78, 4173 (1956); 79, 1764 (1957). Hydrolysis: Ettlinger et al., Proc. Natl. Acad. Sci. USA 47, 1875 (1961). Crystal structure: Waser, Watson, Nature 198, 1297 (1963). Synthesis: Benn, Ettlinger, Chem. Commun. 1965, 445; A. Kjaer, Acta Chem. Scand. 22, 3324 (1968).
 
Derivative Type: Monohydrate
Properties: Crystals, mp 127-129°. When anhydr mp 179°. [a]D18 -16.4°. Freely sol in water, hot alcohol; insol in benzene, chloroform, ether.
Melting point: mp 127-129°; mp 179°
Optical Rotation: [a]D18 -16.4°
 
Derivative Type: Tetraacetate
Molecular Formula: C18H24KNO13S2
Molecular Weight: 565.61
Percent Composition: C 38.22%, H 4.28%, K 6.91%, N 2.48%, O 36.77%, S 11.34%
Properties: Crystals, mp 193-195°. [a]D26 -16° (c = 0.14).
Melting point: mp 193-195°
Optical Rotation: [a]D26 -16° (c = 0.14)