3-Phosphono-D-alanine
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3-Phosphono-D-alanine
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CAS No:
128241-72-5
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Formula:
C3H8NO5P
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Chemical Name:
3-Phosphono-D-alanine
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Synonyms:
D-Alanine,3-phosphono-;3-Phosphono-D-alanine;(S)-2-Amino-3-phosphonopropanoic acid;D-2-Amino-3-phosphonopropionic acid;(2S)-2-Amino-3-phosphonopropanoic acid
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CAS No:
Characteristics
121
-5.2
224-226 °C @ Solvent: Ethanol
481.6ºC at 760mmHg
245.1ºC
0-6°C
1.34E-10mmHg at 25°C
Safety Information
3
36/37/38
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:169.07
XLogP3:-5.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:169.01400935
Monoisotopic Mass:169.01400935
Topological Polar Surface Area:121
Heavy Atom Count:10
Complexity:174
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes