Adp-Ribosylcysteine
[CAS# 99156-05-5]

Identification

• Name: Adp-Ribosylcysteine
• Synonyms: [(3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Phosphonooxy-Phosphoryl]Oxymethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl] (2R)-2-Amino-3-Sulfanyl-Propanoate; (2R)-2-Amino-3-Mercaptopropanoic Acid [(3R,4S,5R)-5-[
• Molecular Formula: C₁₈H₂₈N₆O₁₅P₂S
• Molecular Weight: 662.46
• CAS Registry Number: 99156-05-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](OC[C@H]2OC(OC(=O)[C@@H](N)CS)[C@H](O)[C@@H]2O)(O[P](=O)(O)O)=O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C18H28N6O15P2S/c19-6(3-42)17(29)38-18-13(28)11(26)8(37-18)2-35-41(33,39-40(30,31)32)34-1-7-10(25)12(27)16(36-7)24-5-23-9-14(20)21-4-22-15(9)24/h4-8,10-13,16,18,25-28,42H,1-3,19H2,(H2,20,21,22)(H2,30,31,32)/t6-,7+,8+,10+,11+,12+,13+,16+,18?,41?/m0/s1
• InChIKey: CUNAFAQOOPCELJ-MVCHEGDFSA-N

Properties

• Density: 2.284g/cm³ (Cal.)
• Boiling point: 984.571°C at 760 mmHg (Cal.)
• Flash point: 549.249°C (Cal.)