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Home > Fluorides > 1007840-62-1
1007840-62-1 | D-Homocysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-
CAS No: 1007840-62-1 Catalog No: AG0002UU MDL No:MFCD05663440
Product Description
Catalog Number:
AG0002UU
Chemical Name:
D-Homocysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-
CAS Number:
1007840-62-1
Molecular Formula:
C38H33NO4S
Molecular Weight:
599.7379
MDL Number:
MFCD05663440
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-tritylsulfanylbutanoic acid
InChI:
InChI=1S/C38H33NO4S/c40-36(41)35(39-37(42)43-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34)24-25-44-38(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,34-35H,24-26H2,(H,39,42)(H,40,41)/t35-/m1/s1
InChI Key:
FKBGJLDYRSFHBT-PGUFJCEWSA-N
SMILES:
O=C(N[C@@H](C(=O)O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
856
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
599.213g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
599.745g/mol
Monoisotopic Mass:
599.213g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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