DIKEGULAC DIHYDRAT
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DIKEGULAC DIHYDRAT
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CAS No:
18467-77-1
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Formula:
C12H18O7
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Chemical Name:
DIKEGULAC DIHYDRAT
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Synonyms:
DIKEGULAC DIHYDRAT;DIKEGULAC DIHYDRATE;2,3:4,6-bis-o-(1-methylethylidene)-alpha-l-xylo-2-hexulofuranosonicaci;L-Diacetoneketogulonic acid monohydrate (DAKS);DIKEGULAC MONOHYDRATE PESTANAL 250 MG;2,3:4,6-di-o-isopropyliden-2-oxo-l-gulonic acid;dikegulac hydrate;DIACETONE-2-KETOGULONICACID
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CAS No:
Description
Dikegulac is a member of dioxanes.
Dissolve -DAG in Et2O, filter, dry (MgSO4) it, filter it again and evaporate to give a yellow oil. Addition of one drop of H2O induces crystallisation to the monohydrate, which also forms rhombic crystals on recrystallisation from 95% EtOH/H2O at room temperature. [Flatt et al. Synthesis 815 1979, Reichstein & Grussner Helv Chim Acta 17 311 1934, Takagi & Jeffrey Acta Crystallogr Sect B 34 2932 1978, cf Org Synth 55 80 1976, Beilstein 19/12 V 520.]
DIKEGULAC DIHYDRAT Basic Attributes
274.27
274.27
242-348-8
3981541LXD
TSCA listed
DTXSID0047454
29329990
Characteristics
101.91000
0.34050
1.281
88-90 °C(lit.)
375℃
140ºC
1.482
2-8ºC
1.16E-06mmHg at 25°C
1.77±0.60(Predicted)
5.2×1010mol/(m3Pa) at 25℃, HSDB (2015)
2-8°C
DIKEGULAC DIHYDRAT Use and Manufacturing
.alpha.-L-xylo-2-Hexulofuranosonic acid, 2,3:4,6-bis-O-(1-methylethylidene)-: ACTIVE
Agrochemicals -> Plant Growth Regulators
Computed Properties
Molecular Weight:274.27
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:274.10525291
Monoisotopic Mass:274.10525291
Topological Polar Surface Area:83.4
Heavy Atom Count:19
Complexity:418
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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