Adenosine 5'-Diphosphate-Glycero-Mannoheptose
[CAS# 80186-87-4]

Identification

• Name: Adenosine 5'-Diphosphate-Glycero-Mannoheptose
• Synonyms: [[(2S,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-[(3S,4S,5S,6R)-6-[(1S)-1,2-Dihydroxyethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methyl] Phosphono Hydrogen Phosphate; [[(2S,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]-[(3S,4S,5S,6R)-6-[(1S)-1,2-Dihydroxyethyl]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Methyl] Phosphono Hydrogen Phosphate; [[(2S,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]-[(3S,4S,5S,6R)-6-[(1S)-1,2-Dihydroxyethyl]-3,4,5-Trihydroxy-Oxan-2-Yl]Methyl] Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₇H₂₇N₅O₁₆P₂
• Molecular Weight: 619.37
• CAS Registry Number: 80186-87-4
• SMILES: [C@@H]2(C(O[P](O[P](=O)(O)O)(=O)O)C1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O1)[C@@H](O)CO)[C@@H](O)[C@@H](O)[C@@H](O2)[N]3C=NC4=C3N=CN=C4N
• InChI: 1S/C17H27N5O16P2/c18-15-5-16(20-2-19-15)22(3-21-5)17-10(29)9(28)13(36-17)14(37-40(33,34)38-39(30,31)32)12-8(27)6(25)7(26)11(35-12)4(24)1-23/h2-4,6-14,17,23-29H,1H2,(H,33,34)(H2,18,19,20)(H2,30,31,32)/t4-,6-,7-,8-,9-,10+,11+,12?,13-,14?,17+/m0/s1
• InChIKey: ZLCOQKCHOKULQU-UGALLXPUSA-N

Properties

• Density: 2.503g/cm³ (Cal.)
• Boiling point: 1106.565°C at 760 mmHg (Cal.)
• Flash point: 623.028°C (Cal.)