D-Galactose,diethyl...

D-Galactose,diethyl dithioacetal(CAS No. 5463-33-2)

D-Galactose,diethyl dithioacetal(CAS No. 5463-33-2)

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D-Galactose,diethyl dithioacetal 5463-33-2 D-Galactose,diethyl dithioacetal

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Details:

【Name】
D-Galactose,diethyl dithioacetal
【CAS Registry number】
5463-33-2
【Synonyms】
D-Galactose,diethyl mercaptal
Galactose, diethyl mercaptal, D- (8CI)
Galactose diethylmercaptal
NSC 20706
1,1-Bis-thioethylmercaptal-D-galactose
6,6-Bis(ethylsulfanyl)hexane-1,2,3,4,5-pentol
【Molecular Formula】
C10H22O5S2 (Products with the same molecular formula)
【Molecular Weight】
286.4087
【Inchi】
InChI=1S/C10H22O5S2/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3
【Canonical SMILES】
CCSC(C(C(C(C(CO)O)O)O)O)SCC
【MOL File】
5463-33-2.mol
Chemical and Physical Properties
【Density】
1.357g/cm3
【Boiling Point】
570.3°Cat760mmHg
【Flash Point】
276.2°C
【Computed Properties】
Molecular Weight:286.40868 [g/mol]
Molecular Formula:C10H22O5S2
XLogP3-AA:-0.7
H-Bond Donor:5
H-Bond Acceptor:7
Rotatable Bond Count:9
Exact Mass:286.090865
MonoIsotopic Mass:286.090865
Topological Polar Surface Area:152
Heavy Atom Count:17
Formal Charge:0
Complexity:190
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:5
Feature 3D Hydrophobe Count:3
Effective Rotor Count:9
Conformer Sampling RMSD:0.8
CID Conformer Count:478

 

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