Home Carbonyls D-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-, pentafluorophenyl ester (9CI)

D-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-, pentafluorophenyl ester (9CI)

CAS No.:
200395-72-8
Catalog Number:
AG002CQJ
Molecular Formula:
C43H30F5NO4S
Molecular Weight:
751.7596
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Product Description
Catalog Number:
AG002CQJ
Chemical Name:
D-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-, pentafluorophenyl ester (9CI)
CAS Number:
200395-72-8
Molecular Formula:
C43H30F5NO4S
Molecular Weight:
751.7596
MDL Number:
MFCD00153375
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoate
InChI:
InChI=1S/C43H30F5NO4S/c44-35-36(45)38(47)40(39(48)37(35)46)53-41(50)34(49-42(51)52-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-54-43(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,49,51)/t34-/m1/s1
InChI Key:
FDAUCYDVXIPBDR-UUWRZZSWSA-N
SMILES:
O=C(N[C@@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
1150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
751.182g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
751.768g/mol
Monoisotopic Mass:
751.182g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4  
Properties