D-Allothreonine, N-[(phenylmethoxy)carbonyl]-, methyl ester


Chemical Name: D-Allothreonine, N-[(phenylmethoxy)carbonyl]-, methyl ester
CAS Number: 100157-53-7
Product Number: AG000144(AGN-PC-0NUX5J)
Synonyms:
MDL No: MFCD22416539
Molecular Formula: C13H17NO5
Molecular Weight: 267.2778

Identification/Properties


Properties
BP:
444.7±45.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
267.281g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
267.111g/mol
Monoisotopic Mass:
267.111g/mol
Topological Polar Surface Area:
84.9A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
301
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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