[(2R,3R,4S,5R,6R)-6-bromo-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxan-2-yl]methyl 2,2-dimethylpropanoate

[(2R,3R,4S,5R,6R)-6-bromo-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxan-2-yl]methyl 2,2-dimethylpropanoate

CAS: 81058-27-7

Formula: C26H43BrO9

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

IUPAC: [(2R,3R,4S,5R,6R)-6-bromo-3,4,5-tris[(2,2-dimethylpropanoyl)oxy]oxan-2-yl]methyl 2,2-dimethylpropanoate

InChI: InChI=1S/C26H43BrO9/c1-23(2,3)19(28)32-13-14-15(34-20(29)24(4,5)6)16(35-21(30)25(7,8)9)17(18(27)33-14)36-22(31)26(10,11)12/h14-18H,13H2,1-12H3/t14-,15-,16+,17-,18+/m1/s1

Composition: C (53.89%), H (7.48%), Br (13.79%), O (24.85%)

Molar Mass: 579.525

Atom Count: 79

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	578.209046
Formal Charge	0
FSP3	0.85
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	BSDBCYHGMPHOAL-SFFUCWETSA-N
Lipinski's Rule of Five
Molar Refractivity	133.69
Topological Polar Surface Area	114.43
Polarizability	54.53
Ring Count	1
Rotatable Bond Count	13

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