Guanidinosuccinic acid
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Guanidinosuccinic acid
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CAS No:
6133-30-8
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Formula:
C5H9N3O4
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Chemical Name:
Guanidinosuccinic acid
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Synonyms:
L-Aspartic acid,N-(aminoiminomethyl)-;Aspartic acid,N-amidino-,L-;Aspartic acid,N-amidino-;N-(Aminoiminomethyl)-L-aspartic acid;Guanidinosuccinic acid;Butanedioic acid,[(aminoiminomethyl)amino]-,(S)-;α-Guanidinosuccinic acid;NSC 49078;(2S)-2-(Diaminomethylideneamino)butanedioic acid;1116-05-8;29242-47-5;53461-80-6
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CAS No:
Description
Guanidinosuccinic acid is a nitrogenous metabolite isolated in excess from serum and urine.
Solid
N-amidino-L-aspartic acid is an aspartic acid derivative comprising L-aspartic acid carrying an N-amidino substituent. It is a L-aspartic acid derivative and a N-amidinoaspartic acid. It is a conjugate acid of a N-amidino-L-aspartate(1-) and a N-amidino-L-aspartate(2-).
Characteristics
136.50000
-1.50
1.7±0.1 g/cm3
344.5±52.0 °C at 760 mmHg
162.1±30.7 °C
1.633
136.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|148 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|130.2 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|147 Ų [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|147 Ų [M-2H+Na]-
Computed Properties
Molecular Weight:175.14
XLogP3:-2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:175.05930578
Monoisotopic Mass:175.05930578
Topological Polar Surface Area:139
Heavy Atom Count:12
Complexity:221
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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