AG00IAMJ

5988-19-2 | (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid

AG00IAMJ

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CAS Number	5988-19-2
Catalog Number	AG00IAMJ(AGN-PC-0OCZQB)
Chemical Name	(4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid
IUPAC Name	(4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid
InChI	InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/t2-/m0/s1
InChI Key	UFIVEPVSAGBUSI-REOHCLBHSA-N
MDL Number	MFCD00085339
Molecular Formula	C5H6N2O4
Molecular Weight	158.1121
SMILES	O=C1NC(C[C@H](N1)C(=O)O)=O
UNII	4LPL64ZNA5
Synonyms	4,5-dihydroorotic acid, 4,5-dihydroorotic acid, (D)-isomer, 4,5-dihydroorotic acid, (DL)-isomer, 4,5-dihydroorotic acid, (L)-isomer, 5,6-dihydroorotate, dihydroorotate, hydroorotic acid, L-dihydroorotate, L-Dihydroorotic acid, 5988-19-2, (S)-2,6-Dioxohexahydropyrimidine-4-carboxylic acid, L-dihydroorotate, (S)-dihydroorotic acid, Dihydro-L-orotic acid, (S)-dihydroorotate, Dihydroorotic acid, (4S)-2,6-dioxo-1,3-diazinane-4-carboxylic acid, (S)-4,5-Dihydroorotate, L-5,6-dihydroorotic acid, UNII-4LPL64ZNA5, L-Hydroorotic acid, 4-Pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-, (4S)-, (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4LPL64ZNA5, (S)-4,5-dihydroorotic acid, MFCD00085339, dihydro-L-orotate, L-Dihydroorotic acid, 99%, DOR, (S)-2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid, Hydroorotic acid, L-, L-4,5-dihydroorotic acid, Orotic acid, 4,5-dihydro-, Hydroorotic acid L-form [MI], 1xge, PubChem12669, bmse000342, AC1L96WK, Orotic acid, dihydro-, l-, SCHEMBL417324, PYR139, L-Dihydroorotic acid, >=99%, CHEBI:17025, CTK1H1648, DTXSID30331399, UFIVEPVSAGBUSI-REOHCLBHSA-N, ZINC3869850, ANW-43499, AKOS006237846, CS-W016211, DB02129, DS-1272, AC-23957, AJ-46324, BR-72914, AB0068954, TX-017668, AM20100462, FT-0627848, ST24026515, C00337, S-4794, 2,6-Dioxohexahydro-4-pyrimidine carboxylic acid, 988D192, Q-101528, 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid- (L)-, 4-Pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-,(4S)-, 4-Pyrimidinecarboxylicacid, hexahydro-2,6-dioxo-, (4S)-, UNII-39LRK7UX5B component UFIVEPVSAGBUSI-REOHCLBHSA-N, B6065778-D9A6-498E-9226-03E068EAF3F9, dihydroorotate, hydroorotic acid, Orotic acid, L-DIHYDROOROTICACID, CID439216, CB12025, 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid, (4S)-Hexahydro-2,6-dioxo-4-pyrimidinecarboxylic acid, (S)-2,6-dioxo-hexahydro-pyrimidine-4-carboxylic acid, 155-54-4, 6202-10-4, ORO,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	158.033g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	158.113g/mol
Monoisotopic Mass	158.033g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	95.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P280a-P304+P340-P405-P501a-P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number