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[(2R,3S,4R,5R,6S)-3,4,6-tris(acetyloxy)-5-{[(2,2,2-trichloroethoxy)carbonyl]amino}oxan-2-yl]methyl acetate

[(2R,3S,4R,5R,6S)-3,4,6-tris(acetyloxy)-5-{[(2,2,2-trichloroethoxy)carbonyl]amino}oxan-2-yl]methyl acetate

CAS: 122210-05-3

Formula: C17H22Cl3NO11

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

IUPAC: [(2R,3S,4R,5R,6S)-3,4,6-tris(acetyloxy)-5-{[(2,2,2-trichloroethoxy)carbonyl]amino}oxan-2-yl]methyl acetate

InChI: InChI=1S/C17H22Cl3NO11/c1-7(22)27-5-11-13(29-8(2)23)14(30-9(3)24)12(15(32-11)31-10(4)25)21-16(26)28-6-17(18,19)20/h11-15H,5-6H2,1-4H3,(H,21,26)/t11-,12-,13-,14-,15-/m1/s1

Composition: C (39.06%), H (4.24%), Cl (20.35%), N (2.68%), O (33.67%)

Molar Mass: 522.71

Atom Count: 54

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 521.0258436
Formal Charge 0
FSP3 0.71
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey LREZJCUWSKPMMD-KJWHEZOQSA-N
Lipinski's Rule of Five
Molar Refractivity 105.21
Topological Polar Surface Area 152.76
Polarizability 43.25
Ring Count 1
Rotatable Bond Count 13

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Purity LeadTime CAS UnitPrice
98% <10 Days 122210-05-3 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 122210-05-3 $22.70-$342.99$22.70$37.83$99.62$342.99
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