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1820569-95-6 | 2H-Tetrazole-5-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-(triphenylmethyl)-, (αR)-
CAS No: 1820569-95-6 Catalog No: AG0023B4 MDL No:
Product Description
Catalog Number:
AG0023B4
Chemical Name:
2H-Tetrazole-5-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-(triphenylmethyl)-, (αR)-
CAS Number:
1820569-95-6
Molecular Formula:
C38H31N5O4
Molecular Weight:
621.6838
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-trityltetrazol-5-yl)propanoic acid
InChI:
InChI=1S/C38H31N5O4/c44-36(45)34(39-37(46)47-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)24-35-40-42-43(41-35)38(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,39,46)(H,44,45)/t34-/m1/s1
InChI Key:
XUCHMEWCGJMNQC-UUWRZZSWSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
974
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
621.238g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
621.697g/mol
Monoisotopic Mass:
621.238g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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