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1464137-20-9 | 2H-Tetrazole-5-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
CAS No: 1464137-20-9 Catalog No: AG001E03 MDL No:
Product Description
Catalog Number:
AG001E03
Chemical Name:
2H-Tetrazole-5-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
CAS Number:
1464137-20-9
Molecular Formula:
C19H17N5O4
Molecular Weight:
379.3694
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2H-tetrazol-5-yl)propanoic acid
InChI:
InChI=1S/C19H17N5O4/c25-18(26)16(9-17-21-23-24-22-17)20-19(27)28-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,20,27)(H,25,26)(H,21,22,23,24)/t16-/m1/s1
InChI Key:
MZBYOFZABYTSQS-MRXNPFEDSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1n[nH]nn1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
379.128g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
379.376g/mol
Monoisotopic Mass:
379.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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