Công thức phân tử
C11H18NO10S2-

SMILES
C=C[C@@H](CC(=NOS(=O)(=O)[O-])S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

Nhãn an toàn

Hương thơm
Không mùi	76.14%
Thơm ngon	35.08%
Thịt	31.69%
Rang cháy	25.42%
Nấu chín	23.03%
Lưu huỳnh	22.43%
Hành	15.18%
Thịt bò	14.0%
Mát lạnh	13.49%
Sữa	13.31%

 

Hương vị
Bitter	90.41%
Odorless	31.99%
Bland	27.47%
Sweet-like	22.12%
Nitrile	19.78%
Cedarleaf	19.69%
Taco	18.41%
Roasted peanuts	18.39%
Gooseberry	18.36%
Heather	18.33%

 

Cường độ mùi ước lượng
Thấp

XLogP3-AA
-2.0

pKa ước lượng
4.73 (axit yếu)

Khối lượng phân tử
388.4 g/mol

Điểm chớp cháy

• 215.02 ˚C ước lượng

• [[(3R)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-4-enylidene]amino] sulfate
• CHEBI:8454
• (R)-2-hydroxybut-3-enylglucosinolate
• 1-S-[(3R)-3-hydroxy-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose
• AC1LCV7P

Hóa chất [[(3R)-3-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-4-enylidene]amino] sulfate có các ứng dụng thực tế trong nhiều lĩnh vực như chất trung gian tổng hợp và hỗ trợ nghiên cứu trong dược phẩm; được xem xét như tiền chất glycosylated cho tổng hợp các hợp chất nông nghiệp; có thể được sử dụng làm thành phần hoặc chất trung gian trong mỹ phẩm/chăm sóc cá nhân; có thể đóng vai trò là tiền chất xây dựng cho polymer/nhựa; và được đánh giá như một phụ gia hoặc thành phần công thức trong các sản phẩm vệ sinh và gia đình.

gpt-5-nano

Dung môi	Độ tan (g/L)
ethanol	5.01
methanol	20.11
isopropanol	1.16
water	13.44
ethyl acetate	0.34
n-propanol	1.85
acetone	4.74
n-butanol	0.87
acetonitrile	0.89
DMF	61.25
toluene	0.15
isobutanol	0.61
1,4-dioxane	1.32
methyl acetate	0.71
THF	3.05
2-butanone	1.3
n-pentanol	0.39
sec-butanol	0.68
n-hexane	0.02
ethylene glycol	19.62
NMP	48.63
cyclohexane	0.09
DMSO	154.9
n-butyl acetate	0.3
n-octanol	0.42
chloroform	0.14
n-propyl acetate	0.23
acetic acid	19.38
dichloromethane	0.23
cyclohexanone	2.43
propylene glycol	11.91
isopropyl acetate	0.24
DMAc	37.89
2-ethoxyethanol	7.03
isopentanol	0.43
n-heptane	0.05
ethyl formate	1.48
1,2-dichloroethane	0.32
n-hexanol	0.5
2-methoxyethanol	29.87
isobutyl acetate	0.08
tetrachloromethane	0.06
n-pentyl acetate	0.35
transcutol	9.21
n-heptanol	0.58
ethylbenzene	0.07
MIBK	0.44
2-propoxyethanol	4.83
tert-butanol	0.9
MTBE	0.16
2-butoxyethanol	3.16
propionic acid	2.96
o-xylene	0.18
formic acid	93.74
diethyl ether	0.24
m-xylene	0.12
p-xylene	0.08
chlorobenzene	0.07
dimethyl carbonate	1.84
n-octane	0.03
formamide	93.39
cyclopentanone	4.81
2-pentanone	0.9
anisole	0.24
cyclopentyl methyl ether	0.66
gamma-butyrolactone	5.66
1-methoxy-2-propanol	11.44
pyridine	1.53
3-pentanone	0.63
furfural	8.89
n-dodecane	0.02
diethylene glycol	14.31
diisopropyl ether	0.06
tert-amyl alcohol	0.63
acetylacetone	2.41
n-hexadecane	0.02
acetophenone	0.68
methyl propionate	0.96
isopentyl acetate	0.23
trichloroethylene	0.53
n-nonanol	0.44
cyclohexanol	0.77
benzyl alcohol	0.83
2-ethylhexanol	0.21
isooctanol	0.3
dipropyl ether	0.28
1,2-dichlorobenzene	0.09
ethyl lactate	1.39
propylene carbonate	1.54
n-methylformamide	26.71
2-pentanol	0.31
n-pentane	0.03
1-propoxy-2-propanol	2.44
1-methoxy-2-propyl acetate	1.09
2-(2-methoxypropoxy) propanol	3.62
mesitylene	0.1
ε-caprolactone	1.8
p-cymene	0.11
epichlorohydrin	2.31
1,1,1-trichloroethane	0.08
2-aminoethanol	16.45
morpholine-4-carbaldehyde	23.75
sulfolane	25.92
2,2,4-trimethylpentane	0.01
2-methyltetrahydrofuran	0.74
n-hexyl acetate	0.41
isooctane	0.01
2-(2-butoxyethoxy)ethanol	5.04
sec-butyl acetate	0.11
tert-butyl acetate	0.35
decalin	0.02
glycerin	38.99
diglyme	7.29
acrylic acid	6.87
isopropyl myristate	0.18
n-butyric acid	1.87
acetyl acetate	0.42
di(2-ethylhexyl) phthalate	0.49
ethyl propionate	0.24
nitromethane	20.39
1,2-diethoxyethane	0.58
benzonitrile	0.38
trioctyl phosphate	0.41
1-bromopropane	0.09
gamma-valerolactone	13.58
n-decanol	0.34
triethyl phosphate	0.32
4-methyl-2-pentanol	0.15
propionitrile	0.43
vinylene carbonate	1.8
1,1,2-trichlorotrifluoroethane	11.52
DMS	0.65
cumene	0.05
2-octanol	0.25
2-hexanone	0.34
octyl acetate	0.36
limonene	0.19
1,2-dimethoxyethane	4.21
ethyl orthosilicate	0.25
tributyl phosphate	0.35
diacetone alcohol	2.7
N,N-dimethylaniline	0.37
acrylonitrile	1.36
aniline	0.61
1,3-propanediol	10.6
bromobenzene	0.04
dibromomethane	0.12
1,1,2,2-tetrachloroethane	0.48
2-methyl-cyclohexyl acetate	0.35
tetrabutyl urea	1.07
diisobutyl methanol	0.13
2-phenylethanol	0.77
styrene	0.07
dioctyl adipate	0.5
dimethyl sulfate	6.5
ethyl butyrate	0.3
methyl lactate	6.59
butyl lactate	1.28
diethyl carbonate	0.23
propanediol butyl ether	4.57
triethyl orthoformate	0.33
p-tert-butyltoluene	0.12
methyl 4-tert-butylbenzoate	1.7
morpholine	2.95
tert-butylamine	0.25
n-dodecanol	0.25
dimethoxymethane	8.99
ethylene carbonate	0.98
cyrene	7.44
2-ethoxyethyl acetate	0.77
2-ethylhexyl acetate	0.16
1,2,4-trichlorobenzene	0.16
4-methylpyridine	0.72
dibutyl ether	0.16
2,6-dimethyl-4-heptanol	0.13
DEF	2.96
dimethyl isosorbide	4.89
tetrachloroethylene	0.53
eugenol	2.39
triacetin	1.19
span 80	2.94
1,4-butanediol	3.06
1,1-dichloroethane	0.09
2-methyl-1-pentanol	0.22
methyl formate	15.42
2-methyl-1-butanol	0.44
n-decane	0.04
butyronitrile	0.32
3,7-dimethyl-1-octanol	0.23
1-chlorooctane	0.09
1-chlorotetradecane	0.05
n-nonane	0.03
undecane	0.03
tert-butylcyclohexane	0.01
cyclooctane	0.04
cyclopentanol	1.32
tetrahydropyran	0.56
tert-amyl methyl ether	0.21
2,5,8-trioxanonane	6.93
1-hexene	0.04
2-isopropoxyethanol	1.99
2,2,2-trifluoroethanol	9.58
methyl butyrate	0.45

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