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81440-35-9 | D-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1-(phenylmethyl) ester
CAS No: 81440-35-9 Catalog No: AG005KK0 MDL No:MFCD00672532
Product Description
Catalog Number:
AG005KK0
Chemical Name:
D-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1-(phenylmethyl) ester
CAS Number:
81440-35-9
Molecular Formula:
C19H18NO6-
Molecular Weight:
356.3493
MDL Number:
MFCD00672532
IUPAC Name:
(3R)-4-oxo-4-phenylmethoxy-3-(phenylmethoxycarbonylamino)butanoate
InChI:
InChI=1S/C19H19NO6/c21-17(22)11-16(18(23)25-12-14-7-3-1-4-8-14)20-19(24)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,22)/p-1/t16-/m1/s1
InChI Key:
UYOZWZKJQRBZRH-MRXNPFEDSA-M
SMILES:
[O-]C(=O)C[C@H](C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
356.113g/mol
Formal Charge:
-1
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.354g/mol
Monoisotopic Mass:
356.113g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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