岩藻球菌素
TL;DR: 岩藻球菌素 (CAS 20108-30-9) is a chemical compound with molecular formula C36H56O12 and molecular weight 680.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
岩藻球菌素
2-[8-[4-acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl acetate
Also Known As: Fusicoccin, Fucicoccin, Fusicoccin A, .alpha.-D-Glucopyranoside, 3-[2-(acetyloxy)-1-methylethyl]-1,2,4,5,6,6a,7,8,9,10a-decahydro-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyldicyclopenta[a,d]cycloocten-4-yl 6-O-(1,1-dimethyl-2-propenyl)-, 3-acetate, [1S-[1.alpha.,3(R*),4.alpha.,5.beta.,6.beta.,6a.alpha.,9.beta.,10a.beta.]]-, 2-[8-[4-Acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl acetate
| Molecular Formula | C36H56O12 |
|---|---|
| Molecular Weight | 680.38 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 680.3772 |
| Heavy Atoms | 48 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 20108-30-9 |
|---|---|
| SMILES | CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC |
| InChIKey | KXTYBXCEQOANSX-UHFFFAOYSA-N |
Product Overview
岩藻球菌素 (CAS 20108-30-9), with molecular formula C36H56O12 and molecular weight 680.38 g/mol. IUPAC: 2-[8-[4-acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl acetate.
Chemical Property Profile of 岩藻球菌素
Property Insights of 岩藻球菌素
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 岩藻球菌素. The TPSA of 170.0 Ų indicates high polarity, suggesting 岩藻球菌素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 岩藻球菌素 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 岩藻球菌素?
The CAS number of 岩藻球菌素 is 20108-30-9.
What is the molecular formula of 岩藻球菌素?
The molecular formula of 岩藻球菌素 is C36H56O12.
What is the molecular weight of 岩藻球菌素?
The molecular weight of 岩藻球菌素 is 680.38 g/mol.
Where can I buy 岩藻球菌素?
You can request a quote for 岩藻球菌素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 岩藻球菌素?
Yes, KEHONG BIO provides custom synthesis services for 岩藻球菌素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.