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137130-65-5 | N-Boc-D-aspartic acid 1-methyl ester
CAS No: 137130-65-5 Catalog No: AG0039ZT MDL No:MFCD03094776
Product Description
Catalog Number:
AG0039ZT
Chemical Name:
N-Boc-D-aspartic acid 1-methyl ester
CAS Number:
137130-65-5
Molecular Formula:
C10H17NO6
Molecular Weight:
247.2451
MDL Number:
MFCD03094776
IUPAC Name:
(3R)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI:
InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(5-7(12)13)8(14)16-4/h6H,5H2,1-4H3,(H,11,15)(H,12,13)/t6-/m1/s1
InChI Key:
IWFIVTBTZUCTQH-ZCFIWIBFSA-N
SMILES:
COC(=O)[C@H](NC(=O)OC(C)(C)C)CC(=O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.247g/mol
Monoisotopic Mass:
247.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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