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112898-18-7 | Boc-D-Asp(OcHex);-OH
CAS No: 112898-18-7 Catalog No: AG003OGD MDL No:MFCD00060741
Product Description
Catalog Number:
AG003OGD
Chemical Name:
Boc-D-Asp(OcHex);-OH
CAS Number:
112898-18-7
Molecular Formula:
C15H25NO6
Molecular Weight:
315.3621
MDL Number:
MFCD00060741
IUPAC Name:
(2R)-4-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI:
InChI=1S/C15H25NO6/c1-15(2,3)22-14(20)16-11(13(18)19)9-12(17)21-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChI Key:
NLPQIWFEEKQBBN-LLVKDONJSA-N
SMILES:
O=C(OC1CCCCC1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
315.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.366g/mol
Monoisotopic Mass:
315.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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