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benzyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate; benzyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate

benzyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate; benzyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate

CAS: 167298-57-9

Formula: C26H34N2O6

SMILES: O[C@H]1CC[C@@H](C1)NC(=O)OCC1=CC=CC=C1.O[C@@H]1CC[C@H](C1)NC(=O)OCC1=CC=CC=C1

IUPAC: benzyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate; benzyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate

InChI: InChI=1S/2C13H17NO3/c2*15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h2*1-5,11-12,15H,6-9H2,(H,14,16)/t2*11-,12-/m10/s1

Composition: C (66.36%), H (7.28%), N (5.95%), O (20.40%)

Molar Mass: 470.566

Atom Count: 68

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 4
Exact Mass 470.241686823
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey GIARHVWQALREHW-CMFFWLDZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.64
Topological Polar Surface Area 58.56
Polarizability 25.01
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 167298-57-9 $103.19-$1,149.88$103.19$191.65$383.29$1,149.88
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