Home Carboxys 1,3,8-Triazaspiro[4.5]decane-1,3,8-tricarboxylic acid, 2,4-dioxo-, 1,3-bis(1,1-dimethylethyl) 8-(phenylmethyl) ester

1,3,8-Triazaspiro[4.5]decane-1,3,8-tricarboxylic acid, 2,4-dioxo-, 1,3-bis(1,1-dimethylethyl) 8-(phenylmethyl) ester

CAS No.:
1005187-65-4
Catalog Number:
AG000286
Molecular Formula:
C25H33N3O8
Molecular Weight:
503.5448
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000286
Chemical Name:
1,3,8-Triazaspiro[4.5]decane-1,3,8-tricarboxylic acid, 2,4-dioxo-, 1,3-bis(1,1-dimethylethyl) 8-(phenylmethyl) ester
CAS Number:
1005187-65-4
Molecular Formula:
C25H33N3O8
Molecular Weight:
503.5448
MDL Number:
MFCD29037425
IUPAC Name:
8-O-benzyl 1-O,3-O-ditert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-1,3,8-tricarboxylate
InChI:
InChI=1S/C25H33N3O8/c1-23(2,3)35-21(32)27-18(29)25(28(19(27)30)22(33)36-24(4,5)6)12-14-26(15-13-25)20(31)34-16-17-10-8-7-9-11-17/h7-11H,12-16H2,1-6H3
InChI Key:
JIXATOZUDBFTFI-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)N(C(=O)OC(C)(C)C)C(=O)N(C2=O)C(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
890  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.227g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
503.552g/mol
Monoisotopic Mass:
503.227g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties