D-arabino-alpha-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronic acid,1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-, 8-((2E)-2-methyl-2-butenoate), (7R)-

Base Information

• Chemical Name: D-arabino-alpha-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronic acid,1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-, 8-((2E)-2-methyl-2-butenoate), (7R)-
• CAS No.: 72283-62-6
• Molecular Formula: C₂₁H₂₅N₅O₁₀
• Molecular Weight: 507.457
• Mol file: 72283-62-6.mol

Synonyms:D-arabino-alpha-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronic acid,1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-, 8-((2E)-2-methyl-2-butenoate), (7R)-

Chemical Property of D-arabino-alpha-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronic acid,1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-, 8-((2E)-2-methyl-2-butenoate), (7R)-

Chemical Property:

• Vapor Pressure: 3.28E-34mmHg at 25°C
• Boiling Point: 892.5°C at 760 mmHg
• Flash Point: 493.6°C
• Density: 1.93g/cm³
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 5
• Exact Mass: 507.16014201
• Heavy Atom Count: 36
• Complexity: 924

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C(C(OC2C1(OC3C(C2)OC(C3O)N4C=NC5=C(N=CN=C54)N)O)C(=O)O)O
• Isomeric SMILES: C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H](O[C@H]2[C@]1(O[C@H]3[C@@H](C2)O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)O)C(=O)O)O

Technology Process of D-arabino-alpha-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronic acid,1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-, 8-((2E)-2-methyl-2-butenoate), (7R)-

There total 3 articles about D-arabino-alpha-L-ido-7-Undeculo-7,3-pyranose-1,4-furanuronic acid,1-(6-amino-9H-purin-9-yl)-6,10-anhydro-1,5-dideoxy-, 8-((2E)-2-methyl-2-butenoate), (7R)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2'-O-demethylherbicidin F (1569269-02-8) → aureonuclemycin (123970-01-4) + herbicidin G (72283-62-6)

Guidance literature:

With water; lithium hydroxide; In aq. phosphate buffer; at 20 ℃; for 3h; pH=7;

DOI:10.1021/acs.orglett.9b00066

Reference yield:

aureonuclemycin (123970-01-4) + tigloyl-CoA (6247-62-7) → herbicidin G (72283-62-6)

Guidance literature:

With herbicidins cluster contain serine hydrolase HbcH; In aq. phosphate buffer; at 30 ℃; for 8h; pH=7; Enzymatic reaction;

DOI:10.1021/acs.orglett.9b00066

Reference yield:

Tiglic acid (80-59-1) → herbicidin G (72283-62-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / tetrahydrofuran; water / 3.5 h / 20 °C

2: herbicidins cluster contain serine hydrolase HbcH / aq. phosphate buffer / 8 h / 30 °C / pH 7 / Enzymatic reaction

With herbicidins cluster contain serine hydrolase HbcH; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; potassium carbonate; In tetrahydrofuran; aq. phosphate buffer; water;

DOI:10.1021/acs.orglett.9b00066

upstream raw materials:

Tiglic acid

aureonuclemycin

tigloyl-CoA

2'-O-demethylherbicidin F

Downstream raw materials:

herbicidin C

herbicidin F