Home Carboxys Racemic-(3S,3aS,7aR)-tert-butyl 3-hydroxyhexahydropyrano[3,2-b]pyrrole-1(2H)-carboxylate

Racemic-(3S,3aS,7aR)-tert-butyl 3-hydroxyhexahydropyrano[3,2-b]pyrrole-1(2H)-carboxylate

CAS No.:
1330766-33-0
Catalog Number:
AG00HSSJ
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
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Product Description
Catalog Number:
AG00HSSJ
Chemical Name:
Racemic-(3S,3aS,7aR)-tert-butyl 3-hydroxyhexahydropyrano[3,2-b]pyrrole-1(2H)-carboxylate
CAS Number:
1330766-33-0
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD20230959
IUPAC Name:
tert-butyl (3S,3aS,7aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxylate
InChI:
InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-9(14)10-8(13)5-4-6-16-10/h8-10,14H,4-7H2,1-3H3/t8-,9+,10+/m1/s1
InChI Key:
YGPOVGXTDBUOGY-UTLUCORTSA-N
SMILES:
O[C@H]1CN([C@H]2[C@@H]1OCCC2)C(=O)OC(C)(C)C
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties