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2058-58-4 | H-D-Asn-OH
CAS No: 2058-58-4 Catalog No: AG002ADM MDL No:MFCD00008036
Product Description
Catalog Number:
AG002ADM
Chemical Name:
H-D-Asn-OH
CAS Number:
2058-58-4
Molecular Formula:
C4H8N2O3
Molecular Weight:
132.1179
MDL Number:
MFCD00008036
IUPAC Name:
(2R)-2,4-diamino-4-oxobutanoic acid
InChI:
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1
InChI Key:
DCXYFEDJOCDNAF-UWTATZPHSA-N
SMILES:
NC(=O)C[C@H](C(=O)O)N
EC Number:
218-163-3
UNII:
T6QV1010K6
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
132.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
132.119g/mol
Monoisotopic Mass:
132.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
Literature
| Title | Journal |
|---|---|
| Total synthesis of the large non-ribosomal peptide polytheonamide B. | Nature chemistry 20100401 |
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