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tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate; tert-butyl N-[(3S,4R)-4-aminooxolan-3-yl]carbamate

tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate; tert-butyl N-[(3S,4R)-4-aminooxolan-3-yl]carbamate

CAS: 1629586-23-7

Formula: C18H36N4O6

SMILES: CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1N.CC(C)(C)OC(=O)N[C@H]1COC[C@H]1N

IUPAC: tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate; tert-butyl N-[(3S,4R)-4-aminooxolan-3-yl]carbamate

InChI: InChI=1S/2C9H18N2O3/c2*1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h2*6-7H,4-5,10H2,1-3H3,(H,11,12)/t2*6-,7+/m10/s1

Composition: C (53.45%), H (8.97%), N (13.85%), O (23.73%)

Molar Mass: 404.508

Atom Count: 64

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 404.263484895
Formal Charge 0
FSP3 0.89
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MXNMDKXYUOENDT-RMHGRBOHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.16
Topological Polar Surface Area 73.58
Polarizability 20.74
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 1629586-23-7 $238.14-$3,662.82$238.14$585.14$1,465.13$3,662.82
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