Allantoic acid
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Allantoic acid
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CAS No:
99-16-1
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Formula:
C4H8N4O4
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Chemical Name:
Allantoic acid
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Synonyms:
Acetic acid,2,2-bis[(aminocarbonyl)amino]-;Acetic acid,diureido-;Allantoic acid;Acetic acid,bis[(aminocarbonyl)amino]-;2,2-Bis[(aminocarbonyl)amino]acetic acid;2,2-Diureidoacetic acid
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CAS No:
Description
White Solid
Solid
Allantoic acid is a member of the class of ureas that consists of acetic acid in which the two methyl hydrogens are replaced by carbamoylamino groups respectively. It has a role as a plant metabolite and a mouse metabolite. It is a conjugate acid of an allantoate.
Characteristics
148
-2.6
Solid
1.618 g/cm3
168 °C
439.2ºC at 760 mmHg
219.4ºC
1.584
1e+006 mg/L @ 25 °C (est)
2-8°C
143 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Allantoic acid Use and Manufacturing
An metabolic intermediate in nucleic acid metabolism.
Acetic acid, 2,2-bis[(aminocarbonyl)amino]-: ACTIVE
Computed Properties
Molecular Weight:176.13
XLogP3:-2.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:176.05455475
Monoisotopic Mass:176.05455475
Topological Polar Surface Area:148
Heavy Atom Count:12
Complexity:199
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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