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(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide

(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide

CAS: 55449-49-5

Formula: C17H24BrNO4

SMILES: Br.[H][C@@]12C[C@H](O)[C@@]([H])(C[C@H](C1)OC(=O)[C@H](CO)C1=CC=CC=C1)N2C

IUPAC: (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide

InChI: InChI=1S/C17H23NO4.BrH/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11;/h2-6,12-16,19-20H,7-10H2,1H3;1H/t12-,13-,14+,15+,16-;/m0./s1

Composition: C (52.86%), H (6.26%), Br (20.69%), N (3.63%), O (16.57%)

Molar Mass: 386.286

Atom Count: 47

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 385.088871
Formal Charge 0
FSP3 0.59
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey KMYQCELRVANQNG-YXGOVGSCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.13
Topological Polar Surface Area 70
Polarizability 32.67
Ring Count 3
Rotatable Bond Count 5

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 55449-49-5 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 55449-49-5 $238.49-$242.31$238.49$242.31
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