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210917-86-5 | D-Valine, N-(phenylmethyl)-, methyl ester
CAS No: 210917-86-5 Catalog No: AG002L1U MDL No:MFCD03788630
Product Description
Catalog Number:
AG002L1U
Chemical Name:
D-Valine, N-(phenylmethyl)-, methyl ester
CAS Number:
210917-86-5
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD03788630
IUPAC Name:
methyl (2R)-2-(benzylamino)-3-methylbutanoate;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-10(2)12(13(15)16-3)14-9-11-7-5-4-6-8-11;/h4-8,10,12,14H,9H2,1-3H3;1H/t12-;/m1./s1
InChI Key:
WCFZNEINMPTYRU-UTONKHPSSA-N
SMILES:
COC(=O)[C@@H](C(C)C)NCc1ccccc1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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