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

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

CAS: 126371-43-5

Formula: C17H23NO4

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

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

InChI: InChI=1S/C17H23NO4/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/t12-,13-,14-,15+,16-/m1/s1

Composition: C (66.86%), H (7.59%), N (4.59%), O (20.96%)

Molar Mass: 305.374

Atom Count: 45

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 305.162708225
Formal Charge 0
FSP3 0.59
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey WTQYWNWRJNXDEG-DGXTUMSLSA-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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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 126371-43-5 $46.92-$480.42$46.92$180.54$480.42
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