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2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-yl]propanoic acid

2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-yl]propanoic acid

CAS: 252930-37-3

Formula: C11H19N2O7P

SMILES: CC(C)(C)C1=C(CC(N)C(O)=O)C(OCP(O)(O)=O)=NO1

IUPAC: 2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-yl]propanoic acid

InChI: InChI=1/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)

Composition: C (41.00%), H (5.94%), N (8.69%), O (34.75%), P (9.61%)

Molar Mass: 322.254

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 322.092987958
Formal Charge 0
FSP3 0.64
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey AGSOOCUNMTYPSE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.46
Topological Polar Surface Area 156.11
Polarizability 28.21
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 252930-37-3 $51.98-$537.37$51.98$75.68$121.54$230.08$360.03$537.37
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