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NSC205383,Rhamnose, diethyl mercaptal, tetraacetate, L-, [2,4,5-triace

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摘 要:NSC205383,Rhamnose, diethyl mercaptal, tetraacetate, L-, [2,4,5-triacetyloxy-1,1-bis(ethylsulfanyl)hexan-3-yl] acetate,Canonical SMILES: CCSC(C(C(C(C(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)SCC,InChI: InChI=1/C18H30O8S2/c1-8-27-18(28-9-2)17(26-14(7)22)16(2
[Synonyms]
NSC205383
Rhamnose, diethyl mercaptal, tetraacetate, L-

[Structure]
NSC205383,Rhamnose, diethyl mercaptal, tetraacetate, L-, [2,4,5-triace

[ Properties Computed from Structure]
Molecular Weight438.556 [g/mol]
Molecular FormulaC18H30O8S2
XLogP3.2
H-Bond Donor0
H-Bond Acceptor8
Rotatable Bond Count16
Exact Mass438.138209
MonoIsotopic Mass438.138209
Topological Polar Surface Area105
Heavy Atom Count28
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count4
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [2,4,5-triacetyloxy-1,1-bis(ethylsulfanyl)hexan-3-yl] acetate
Canonical SMILES: CCSC(C(C(C(C(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)SCC
InChI: InChI=1/C18H30O8S2/c1-8-27-18(28-9-2)17(26-14(7)22)16(25-13(6)21)15(24-
12(5)20)10(3)23-11(4)19/h10,15-18H,8-9H2,1-7H3

 
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