(4''R)-4''-DEOXY-4''-(METHYLAMINO)AVERMECTIN B1 BENZOATE

Catalog No: FT-0631155

CAS No: 137512-74-4

Chemical Name: (4''R)-4''-DEOXY-4''-(METHYLAMINO)AVERMECTIN B1 BENZOATE
Molecular Formula: C56H81NO15
Molecular Weight: 1008.2
InChI Key: GCKZANITAMOIAR-XWVCPFKXSA-N
InChI: InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :16 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :N/A ', '6. TPSA 199 ', '7. Heavy Atom Count :72 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1850 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :18 ', '12. Undefined Atom Stereocenter Count :2 ', '13. Defined Bond Stereocenter Count :3 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
Molecular_Structure:	['1 . Molar refractive index 23950 ', '2 . Molar volume 7529 ', '3 . Parachor （902K）19860 ', '4 . Surface tension 484 ', '5 . Polarizability 9494']
LogP:	4.62840
FW:	1008.240
PSA:	206.57000
MF:	C56H81NO15
More_Info:	['1. Appearance White or 浅Yellow 晶状粉末。 ', '2. Melting point（℃）141～146。 ', '3溶解度Soluble in 丙酮and 甲醇，微Soluble in Water （在pH=5～6的Water 中溶解度为300mg/kg），Insoluble in 正乙烷。在正常贮存条件下稳定。']
Exact_Mass:	1007.560608