[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(2,2,2-trichloroethanimidoyl)oxy]oxan-2-yl]methyl acetate

[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(2,2,2-trichloroethanimidoyl)oxy]oxan-2-yl]methyl acetate

CAS: 121238-27-5

Formula: C16H20Cl3NO10

SMILES: CC(=O)OC[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

IUPAC: [(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(2,2,2-trichloroethanimidoyl)oxy]oxan-2-yl]methyl acetate

InChI: InChI=1S/C16H20Cl3NO10/c1-6(21)25-5-10-11(26-7(2)22)12(27-8(3)23)13(28-9(4)24)14(29-10)30-15(20)16(17,18)19/h10-14,20H,5H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1

Composition: C (39.01%), H (4.09%), Cl (21.59%), N (2.84%), O (32.47%)

Molar Mass: 492.68

Atom Count: 50

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	491.0152789
Formal Charge	0
FSP3	0.69
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	IBUZGVQIKARDAF-PEBLQZBPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.94
Topological Polar Surface Area	147.51
Polarizability	40.86
Ring Count	1
Rotatable Bond Count	12

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