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

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

CAS: 13242-51-8

Formula: C20H23NO12

SMILES: CC(=O)OC[C@H]1O[C@H](OC2=CC=C(C=C2)[N+]([O-])=O)[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-(4-nitrophenoxy)oxan-2-yl]methyl acetate

InChI: InChI=1S/C20H23NO12/c1-10(22)28-9-16-17(29-11(2)23)18(30-12(3)24)19(31-13(4)25)20(33-16)32-15-7-5-14(6-8-15)21(26)27/h5-8,16-20H,9H2,1-4H3/t16-,17+,18+,19+,20+/m1/s1

Composition: C (51.18%), H (4.94%), N (2.98%), O (40.90%)

Molar Mass: 469.399

Atom Count: 56

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	5
Exact Mass	469.122025185
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
InChIKey	BEUISCKWILNFIL-SLHNCBLASA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.11
Topological Polar Surface Area	166.8
Polarizability	42.08
Ring Count	2
Rotatable Bond Count	12

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