Home Carboxys 2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-6-oxodecahydroisoquinoline-3-carboxylic acid

2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-6-oxodecahydroisoquinoline-3-carboxylic acid

CAS No.:
1403766-52-8
Catalog Number:
AG00HVTL
Molecular Formula:
C25H25NO5
Molecular Weight:
419.4697
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Product Description
Catalog Number:
AG00HVTL
Chemical Name:
2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-6-oxodecahydroisoquinoline-3-carboxylic acid
CAS Number:
1403766-52-8
Molecular Formula:
C25H25NO5
Molecular Weight:
419.4697
MDL Number:
MFCD23106316
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C25H25NO5/c27-17-10-9-15-13-26(23(24(28)29)12-16(15)11-17)25(30)31-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,15-16,22-23H,9-14H2,(H,28,29)
InChI Key:
AYHUVPFAIXSTEV-UHFFFAOYSA-N
SMILES:
O=C1CCC2C(C1)CC(N(C2)C(=O)OCC1c2ccccc2c2c1cccc2)C(=O)O
Properties
Complexity:
701  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.173g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
419.477g/mol
Monoisotopic Mass:
419.173g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties