Herbicidin F

Base Information

Chemical Name:Herbicidin F
CAS No.:72283-61-5
Molecular Formula:C23H29N5O10
Molecular Weight:535.51
Hs Code.:
Wikidata:Q76386751
Metabolomics Workbench ID:130457
ChEMBL ID:CHEMBL3109450

Synonyms:Herbicidin F;alpha-L-ido-D-lyxo-5-Undeculo-5,9-pyranosonic acid, 11-C-(6-amino-9H-purin-9-yl)-2,6,8,11-dianhydro-7-deoxy-10-O-methyl-, methyl ester, 4-(2-methyl-2-butenoate), (4(E),11R)-;72283-61-5;C23H29N5O10;C23-H29-N5-O10;CHEMBL3109450;LS-158490

Suppliers and Price of Herbicidin F

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 0 raw suppliers

Chemical Property of Herbicidin F

Chemical Property:

Vapor Pressure:3.28E-25mmHg at 25°C
Boiling Point:774°C at 760 mmHg
Flash Point:421.9°C
PSA：199.60000
Density:1.72g/cm³
LogP:-0.44110
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:535.19144214
Heavy Atom Count:38
Complexity:956

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(C3OC)N4C=NC5=C(N=CN=C54)N)O)C(=O)OC)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]3OC)N4C=NC5=C(N=CN=C54)N)O)C(=O)OC)O

Technology Process of Herbicidin F

There total 4 articles about Herbicidin F 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:

: 67-56-1
methanol

: 1569269-02-8
2'-O-demethylherbicidin F

: 72283-61-5
herbicidin F

Guidance literature:: With B₁₂-dependent radical S-adenosyl-L-methionine enzyme; herbicidins cluster contain methyltransferases HbcG; In aq. phosphate buffer; at 30 ℃; for 8h; pH=7; Enzymatic reaction;
DOI:10.1021/acs.orglett.9b00066

Reference yield:

: 80-59-1
Tiglic acid

: 72283-61-5
herbicidin F

Guidance literature:: Multi-step reaction with 4 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

3: herbicidins cluster contain methyltransferases HbcF; B₁₂-dependent radical S-adenosyl-L-methionine enzyme / aq. phosphate buffer / 8 h / 30 °C / pH 7 / Enzymatic reaction

4: B₁₂-dependent radical S-adenosyl-L-methionine enzyme; herbicidins cluster contain methyltransferases HbcG / aq. phosphate buffer / 8 h / 30 °C / pH 7 / Enzymatic reaction

With B₁₂-dependent radical S-adenosyl-L-methionine enzyme; herbicidins cluster contain methyltransferases HbcF; herbicidins cluster contain methyltransferases HbcG; 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

Reference yield:

: 6247-62-7
tigloyl-CoA

: 72283-61-5
herbicidin F

Guidance literature:: Multi-step reaction with 3 steps

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

2: herbicidins cluster contain methyltransferases HbcF; B₁₂-dependent radical S-adenosyl-L-methionine enzyme / aq. phosphate buffer / 8 h / 30 °C / pH 7 / Enzymatic reaction

3: B₁₂-dependent radical S-adenosyl-L-methionine enzyme; herbicidins cluster contain methyltransferases HbcG / aq. phosphate buffer / 8 h / 30 °C / pH 7 / Enzymatic reaction

With B₁₂-dependent radical S-adenosyl-L-methionine enzyme; herbicidins cluster contain methyltransferases HbcF; herbicidins cluster contain methyltransferases HbcG; herbicidins cluster contain serine hydrolase HbcH; In aq. phosphate buffer;
DOI:10.1021/acs.orglett.9b00066