ROKITAMYCIN

Catalog No: FT-0630826

CAS No: 74014-51-0

Chemical Name: ROKITAMYCIN
Molecular Formula: C42H69NO15
Molecular Weight: 828.0
InChI Key: VYWWNRMSAPEJLS-MDWYKHENSA-N
InChI: InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/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

Molecular_Structure:	['1 . Molar refractive index 21300 ', '2 . Molar volume 6838 ', '3 . Parachor （902K）18297 ', '4 . Surface tension 512 ', '5 . Polarizability 8444']
LogP:	3.15750
Flash_Point:	485.6ºC
Refractive_Index:	1.535
FW:	827.99500
Density:	1.21 g/cm3
Bolling_Point:	879.3ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :3 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :16 ', '4. Rotatable Bond Count :15 ', '5. Isotope Atom Count :4 ', '6. TPSA 206 ', '7. Heavy Atom Count :58 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1380 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :16 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :2 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
PSA:	206.05000
Exact_Mass:	827.46700
More_Info:	['1. Appearance White to 微Yellow 粉末，无臭，味苦。 ', '2溶解度极易Soluble in 甲醇 Ethanol Ethyl ether 丙酮or 乙酸乙酯，几Insoluble in Water or 正己烷。 ', '3. Melting point116℃。 ', '4. Specific rotation[α] D25-50°(C=1，氯仿)，也有报道[α]D20 -71°(C=10，氯仿)。 ', '5UV最大吸收( Ethanol )232nm(ε28000)。']
MF:	C42H69NO15