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161958-93-6 | Butanamide, N,2,3,4-tetrahydroxy-, (2S,3S)-
CAS No: 161958-93-6 Catalog No: AG001SJR MDL No:
Product Description
Catalog Number:
AG001SJR
Chemical Name:
Butanamide, N,2,3,4-tetrahydroxy-, (2S,3S)-
CAS Number:
161958-93-6
Molecular Formula:
C4H9NO5
Molecular Weight:
151.1180
IUPAC Name:
(2S,3S)-N,2,3,4-tetrahydroxybutanamide
InChI:
InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m0/s1
InChI Key:
SJYJPXDRLWCEKB-HRFVKAFMSA-N
SMILES:
OC[C@@H]([C@@H](C(=O)NO)O)O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
151.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
151.118g/mol
Monoisotopic Mass:
151.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
Literature
| Title | Journal |
|---|---|
| Sensitivity of molecular dynamics simulations to the choice of the X-ray structure used to model an enzymatic reaction. | Protein science : a publication of the Protein Society 20040901 |
| Evolution of enzymatic activities in the orotidine 5'-monophosphate decarboxylase suprafamily: crystallographic evidence for a proton relay system in the active site of 3-keto-L-gulonate 6-phosphate decarboxylase. | Biochemistry 20040601 |
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