Molecular formula
C52H76O24

SMILES
C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@H](O[C@H]([C@@H]2O)C)OC3=CC4=CC5=C(C(=O)[C@@H]([C@H](C5)[C@H](C(=O)[C@@H]([C@H](C)O)O)OC)O[C@@H]6C[C@@H]([C@H]([C@@H](O6)C)O)O[C@@H]7C[C@@H]([C@H]([C@@H](O7)C)O)O[C@@H]8C[C@@]([C@@H]([C@@H](O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O

Fragrance
Odorless	68.57%
Sweet	34.05%
Vanilla	30.38%
Milky	28.05%
Creamy	24.04%
Savory	21.7%
Dairy	19.24%
Caramellic	19.08%
Buttery	16.86%
Cooling	16.3%

 

Flavor
Bitter	63.45%
Odorless	34.71%
Bland	29.83%
Sweet-like	28.82%
Fatty	28.71%
Cedarleaf	20.32%
Cauliflower	19.51%
Bouillon	19.41%
Very slight	19.27%
Alkaline	19.14%

 

Odor impact est.
Medium

XLogP3-AA
0.6

pKa est.
5.55 (weak acid)

Molecular weight
1085.1 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
5935°C

Flash point

• 191.89 ˚C est.

mithramycin a is a polyketide antibiotic produced by Streptomyces; in practical terms its applications are primarily in research and drug discovery contexts: it binds GC-rich DNA and inhibits transcription in vitro; it serves as a biochemical tool to study DNA–protein interactions and gene expression regulation; it is investigated as a lead compound in pharmaceutical development; and it is used in analytical assay design and screening related to DNA-binding mechanisms.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3.78
methanol	36.81
isopropanol	1.31
water	0.14
ethyl acetate	2.08
n-propanol	3.41
acetone	3.26
n-butanol	1.77
acetonitrile	1.0
DMF	66.3
toluene	0.58
isobutanol	1.28
1,4-dioxane	16.67
methyl acetate	3.25
THF	22.4
2-butanone	3.48
n-pentanol	1.29
sec-butanol	1.37
n-hexane	0.03
ethylene glycol	9.46
NMP	83.1
cyclohexane	0.05
DMSO	57.61
n-butyl acetate	1.02
n-octanol	1.18
chloroform	3.4
n-propyl acetate	1.25
acetic acid	29.29
dichloromethane	4.14
cyclohexanone	6.72
propylene glycol	12.26
isopropyl acetate	1.07
DMAc	64.58
2-ethoxyethanol	17.54
isopentanol	0.87
n-heptane	0.05
ethyl formate	3.69
1,2-dichloroethane	2.04
n-hexanol	0.68
2-methoxyethanol	43.35
isobutyl acetate	0.65
tetrachloromethane	0.34
n-pentyl acetate	2.15
transcutol	30.01
n-heptanol	1.26
ethylbenzene	0.22
MIBK	0.98
2-propoxyethanol	13.81
tert-butanol	0.81
MTBE	0.63
2-butoxyethanol	10.33
propionic acid	7.1
o-xylene	0.37
formic acid	46.55
diethyl ether	1.19
m-xylene	0.31
p-xylene	0.25
chlorobenzene	0.54
dimethyl carbonate	7.37
n-octane	0.03
formamide	31.08
cyclopentanone	13.17
2-pentanone	1.94
anisole	1.24
cyclopentyl methyl ether	3.02
gamma-butyrolactone	22.87
1-methoxy-2-propanol	19.91
pyridine	6.98
3-pentanone	1.88
furfural	23.04
n-dodecane	0.02
diethylene glycol	21.93
diisopropyl ether	0.18
tert-amyl alcohol	0.98
acetylacetone	5.64
n-hexadecane	0.03
acetophenone	2.05
methyl propionate	4.69
isopentyl acetate	0.84
trichloroethylene	5.83
n-nonanol	1.24
cyclohexanol	1.22
benzyl alcohol	2.35
2-ethylhexanol	0.39
isooctanol	0.83
dipropyl ether	0.96
1,2-dichlorobenzene	0.63
ethyl lactate	3.54
propylene carbonate	6.06
n-methylformamide	29.89
2-pentanol	0.64
n-pentane	0.04
1-propoxy-2-propanol	7.2
1-methoxy-2-propyl acetate	4.49
2-(2-methoxypropoxy) propanol	8.42
mesitylene	0.15
ε-caprolactone	8.63
p-cymene	0.18
epichlorohydrin	17.76
1,1,1-trichloroethane	0.55
2-aminoethanol	12.43
morpholine-4-carbaldehyde	77.93
sulfolane	49.76
2,2,4-trimethylpentane	0.02
2-methyltetrahydrofuran	4.17
n-hexyl acetate	2.24
isooctane	0.01
2-(2-butoxyethoxy)ethanol	11.95
sec-butyl acetate	0.67
tert-butyl acetate	1.16
decalin	0.03
glycerin	36.77
diglyme	24.13
acrylic acid	13.35
isopropyl myristate	0.53
n-butyric acid	4.89
acetyl acetate	2.19
di(2-ethylhexyl) phthalate	1.37
ethyl propionate	1.39
nitromethane	33.11
1,2-diethoxyethane	3.62
benzonitrile	1.2
trioctyl phosphate	0.92
1-bromopropane	0.58
gamma-valerolactone	57.45
n-decanol	0.7
triethyl phosphate	1.11
4-methyl-2-pentanol	0.33
propionitrile	1.08
vinylene carbonate	7.84
1,1,2-trichlorotrifluoroethane	39.84
DMS	2.84
cumene	0.14
2-octanol	0.66
2-hexanone	1.33
octyl acetate	1.16
limonene	0.26
1,2-dimethoxyethane	17.62
ethyl orthosilicate	1.02
tributyl phosphate	0.78
diacetone alcohol	4.34
N,N-dimethylaniline	1.05
acrylonitrile	2.79
aniline	1.48
1,3-propanediol	10.37
bromobenzene	0.41
dibromomethane	1.51
1,1,2,2-tetrachloroethane	4.49
2-methyl-cyclohexyl acetate	0.98
tetrabutyl urea	1.67
diisobutyl methanol	0.24
2-phenylethanol	1.57
styrene	0.26
dioctyl adipate	1.51
dimethyl sulfate	17.97
ethyl butyrate	1.11
methyl lactate	13.73
butyl lactate	4.07
diethyl carbonate	0.76
propanediol butyl ether	12.05
triethyl orthoformate	1.66
p-tert-butyltoluene	0.18
methyl 4-tert-butylbenzoate	4.16
morpholine	19.77
tert-butylamine	0.21
n-dodecanol	0.39
dimethoxymethane	30.92
ethylene carbonate	4.98
cyrene	16.05
2-ethoxyethyl acetate	6.24
2-ethylhexyl acetate	0.71
1,2,4-trichlorobenzene	1.12
4-methylpyridine	3.2
dibutyl ether	0.7
2,6-dimethyl-4-heptanol	0.24
DEF	7.57
dimethyl isosorbide	12.71
tetrachloroethylene	3.28
eugenol	4.74
triacetin	5.67
span 80	7.59
1,4-butanediol	4.24
1,1-dichloroethane	0.71
2-methyl-1-pentanol	0.8
methyl formate	23.06
2-methyl-1-butanol	1.14
n-decane	0.06
butyronitrile	0.74
3,7-dimethyl-1-octanol	0.61
1-chlorooctane	0.27
1-chlorotetradecane	0.08
n-nonane	0.05
undecane	0.04
tert-butylcyclohexane	0.02
cyclooctane	0.03
cyclopentanol	2.38
tetrahydropyran	3.58
tert-amyl methyl ether	0.84
2,5,8-trioxanonane	15.17
1-hexene	0.11
2-isopropoxyethanol	6.47
2,2,2-trifluoroethanol	11.38
methyl butyrate	2.05

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