(2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid (CAS 3031-95-6) — formula C13H19N4O12P, molecular weight 454.28; category organic chemicals.
| CAS Number | 3031-95-6 |
|---|---|
| Molecular Formula | C13H19N4O12P |
| Molecular Weight | 454.28 |
| LogP | -4.3 |
| Applications | This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation |
| Category | Organic Chemicals |
Documented applications: This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
(2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid is a carbon-based organic compound with CAS registry number 3031-95-6 and molecular formula C13H19N4O12P (molecular weight 454.28), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3031-95-6
Its molecular formula C13H19N4O12P comprises 13 C, 19 H, 4 N, 12 O, 1 P atoms.
Also known as: (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid · N-琥珀酰-5-氨基咪唑-4-甲酰胺核糖5'-磷酸
Category: organic chemicals
The CAS registry number of (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid is 3031-95-6.
Molecular formula C13H19N4O12P, molecular weight 454.28.
It is also registered under: (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid, N-琥珀酰-5-氨基咪唑-4-甲酰胺核糖5'-磷酸.
Recorded applications: This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
Category: Organic Chemicals.
Independent reference data for (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid (CAS 3031-95-6), compiled from public chemistry databases.
| CAS 号 | 3031-95-6 |
|---|---|
| PubChem CID | 160666 |
| 分子式 | C13H19N4O12P |
| IUPAC 名称 | (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]butanedioic acid |
| UNII（FDA） | K1PVR64RIF |
| Molecular Weight | 454.28 |
|---|---|
| XLogP3 | -4.3 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 9 |
| Exact Mass | 454.07370905 |
| Monoisotopic Mass | 454.07370905 |
| Topological Polar Surface Area | 264 |
| Heavy Atom Count | 30 |
SAICAR; 3031-95-6; Succino-AICAR; K1PVR64RIF; DTXSID90184404; 5-Amino-4-imidazole-N-succinocarboxamide ribonucleotide; 5'-Phosphoribosyl-4-(N-succinylcarboxamide)-5-aminoimidazole; CHEBI:18319; 1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole; N-((5-Amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-4-yl)carbonyl)-L-aspartic acid; N-(5-Amino-1-beta-D-ribofuranosylimidazole-4-carbonyl)-L-aspartic acid 5'-phosphate; 1-(5'-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole; (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate; (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate; succinyl-AICAR; N-{[5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl}-L-aspartic acid
N-琥珀酰-5-氨基咪唑-4-甲酰胺核糖5'-磷酸 · CAS 3031-95-6 · C13H19N4O12P. UNII K1PVR64RIF.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.