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158961-80-9 | D-Valine, N-[(dodecyloxy)carbonyl]-
CAS No: 158961-80-9 Catalog No: AG001R1Q MDL No:
Product Description
Catalog Number:
AG001R1Q
Chemical Name:
D-Valine, N-[(dodecyloxy)carbonyl]-
CAS Number:
158961-80-9
Molecular Formula:
C18H35NO4
Molecular Weight:
329.4748
IUPAC Name:
(2R)-2-(dodecoxycarbonylamino)-3-methylbutanoic acid
InChI:
InChI=1S/C18H35NO4/c1-4-5-6-7-8-9-10-11-12-13-14-23-18(22)19-16(15(2)3)17(20)21/h15-16H,4-14H2,1-3H3,(H,19,22)(H,20,21)/t16-/m1/s1
InChI Key:
KFXDHGFKZUDVAR-MRXNPFEDSA-N
SMILES:
CCCCCCCCCCCCOC(=O)N[C@@H](C(=O)O)C(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
329.257g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.481g/mol
Monoisotopic Mass:
329.257g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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