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Hydroxymeprobamate [2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] c

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摘 要:Hydroxymeprobamate [2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] carbamate,Canonical SMILES: CC(CC(C)(COC(=O)N)COC(=O)N)O,InChI: InChI=1/C9H18N2O5/c1-6(12)3-9(2,4-15-7(10)13)5-16-8(11)14/h6,12H,3-5H2,,1-2H3,(H2,10,13)(H2,11,14)/f/h10-11H2,Molecul
[Synonyms]
Hydroxymeprobamate
[Structure]
Hydroxymeprobamate [2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] c

[ Properties Computed from Structure]
Molecular Weight234.24962 [g/mol]
Molecular FormulaC9H18N2O5
XLogP-0.7
H-Bond Donor3
H-Bond Acceptor5
Rotatable Bond Count8
Tautomer Count3
Exact Mass234.121572
MonoIsotopic Mass234.121572
Topological Polar Surface Area125
Heavy Atom Count16
Formal Charge0
Complexity238
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [2-(carbamoyloxymethyl)-4-hydroxy-2-methylpentyl] carbamate
Canonical SMILES: CC(CC(C)(COC(=O)N)COC(=O)N)O
InChI: InChI=1/C9H18N2O5/c1-6(12)3-9(2,4-15-7(10)13)5-16-8(11)14/h6,12H,3-5H2,
1-2H3,(H2,10,13)(H2,11,14)/f/h10-11H2

 
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