Home Carbonyls methyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate

methyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate

CAS No.:
82911-79-3
Catalog Number:
AG00G5OS
Molecular Formula:
C25H23NO5
Molecular Weight:
417.4538
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Product Description
Catalog Number:
AG00G5OS
Chemical Name:
methyl (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoate
CAS Number:
82911-79-3
Molecular Formula:
C25H23NO5
Molecular Weight:
417.4538
MDL Number:
MFCD16037899
IUPAC Name:
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate
InChI:
InChI=1S/C25H23NO5/c1-30-24(28)23(14-16-10-12-17(27)13-11-16)26-25(29)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23,27H,14-15H2,1H3,(H,26,29)/t23-/m0/s1
InChI Key:
NWIXWDJMIUGINH-QHCPKHFHSA-N
SMILES:
COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
595  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
417.158g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
417.461g/mol
Monoisotopic Mass:
417.158g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties