Free Chemical Databases
-
[Synonyms]
NSC655461
AIDS141115
AIDS-141115
NCI60_019254
Methyl 4,6-dideoxy-2,3-O-(1-methylethylidene)-4-(((2,2,2-trichloroethoxy)carbonyl)amino)hexopyranoside
[Structure]
[ Properties Computed from Structure]
Molecular Weight 392.66 [g/mol] Molecular Formula C13H20Cl3NO6 XLogP 2.3 H-Bond Donor 1 H-Bond Acceptor 6 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 391.035621 MonoIsotopic Mass 391.035621 Topological Polar Surface Area 75.3 Heavy Atom Count 23 Formal Charge 0 Complexity 444 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 5 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2,2,2-trichloroethyl
N-(4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,
5-d]pyran-7-yl)carbamate
Canonical SMILES: CC1C(C2C(C(O1)OC)OC(O2)(C)C)NC(=O)OCC(Cl)(Cl)Cl
InChI: InChI=1/C13H20Cl3NO6/c1-6-7(17-11(18)20-5-13(14,
15)16)8-9(10(19-4)21-6)23-12(2,3)22-8/h6-10H,5H2,1-4H3,(H,17,18)/f/h17H
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