Home Carboxys Racemic-(2s,3as,6as)-1-((benzyloxy)carbonyl)-5-(tert-butoxycarbonyl)octahydropyrrolo[3,4-b]pyrrole-2-carboxylic acid

Racemic-(2s,3as,6as)-1-((benzyloxy)carbonyl)-5-(tert-butoxycarbonyl)octahydropyrrolo[3,4-b]pyrrole-2-carboxylic acid

CAS No.:
1251001-87-2
Catalog Number:
AG00HHZA
Molecular Formula:
C20H26N2O6
Molecular Weight:
390.4302
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$315
- +
250mg
95%
In Stock USA
United States
$588
- +
Product Description
Catalog Number:
AG00HHZA
Chemical Name:
Racemic-(2s,3as,6as)-1-((benzyloxy)carbonyl)-5-(tert-butoxycarbonyl)octahydropyrrolo[3,4-b]pyrrole-2-carboxylic acid
CAS Number:
1251001-87-2
Molecular Formula:
C20H26N2O6
Molecular Weight:
390.4302
MDL Number:
MFCD12198665
IUPAC Name:
(2S,3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxylic acid
InChI:
InChI=1S/C20H26N2O6/c1-20(2,3)28-18(25)21-10-14-9-15(17(23)24)22(16(14)11-21)19(26)27-12-13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,23,24)/t14-,15-,16+/m0/s1
InChI Key:
CSYNHJIDCIEPDB-HRCADAONSA-N
SMILES:
OC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)OCc1ccccc1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
610  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
390.179g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
390.436g/mol
Monoisotopic Mass:
390.179g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties