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

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

CAS: 381716-33-2

Formula: C20H31N3O12

SMILES: CC(=O)OC[C@H]1OC(OCCOCCOCCN=[N+]=[N-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

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

InChI: InChI=1S/C20H31N3O12/c1-12(24)31-11-16-17(32-13(2)25)18(33-14(3)26)19(34-15(4)27)20(35-16)30-10-9-29-8-7-28-6-5-22-23-21/h16-20H,5-11H2,1-4H3/t16-,17+,18+,19+,20?/m1/s1

Composition: C (47.52%), H (6.18%), N (8.31%), O (37.98%)

Molar Mass: 505.477

Atom Count: 66

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 505.19077345
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 0
InChIKey DLTVNCZYHKTWGV-IBBQXXDQSA-N
Lipinski's Rule of Five
Molar Refractivity 111.95
Topological Polar Surface Area 171.55
Polarizability 45.42
Ring Count 1
Rotatable Bond Count 19

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