MCYST-ASPDHBRR

pro_cas
202120-08-9
pro_cdbregno
CCD03032797
pro_formula
C48 H73 N13 O12
pro_molWeight
1024.18

basic_info

Product_Name: MCYST-ASPDHBRR
CAS: 202120-08-9
EnglishSynonyms: MCYST-ASPDHBRR ; [D-ASP3, E-DHB7]-MICROCYSTIN-RR
pro_mdlNumber: MFCD16652550
pro_acceptors: 25
pro_donors: 15
pro_smile: C/C=C/1\C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CC(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](Cc2ccccc2)OC)/C)CCCNC(=N)N)C(=O)O)CCCNC(=N)N)C
InChi: InChI=1S/C48H73N13O12/c1-7-31-42(66)55-29(5)41(65)59-34(16-12-22-54-48(51)52)44(68)61-36(46(71)72)25-39(63)57-33(15-11-21-53-47(49)50)43(67)58-32(28(4)40(64)60-35(45(69)70)19-20-38(62)56-31)18-17-26(2)23-27(3)37(73-6)24-30-13-9-8-10-14-30/h7-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-6H3,(H,55,66)(H,56,62)(H,57,63)(H,58,67)(H,59,65)(H,60,64)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+,31-7+/t27-,28-,29+,32-,33-,34-,35+,36+,37-/m0/s1
InChiKey: InChIKey=JIVQGWHGELHXHV-UTGMKIGISA-N

property

PhysicalProperty: FLASHPOINT: 11 DEG C
FLASHPOINT: 51.8 DEG F
Comments: CONCENTRATION: 10 MICROGRAM/ML IN METHANOL
FOR ENVIRONMENTAL ANALYSIS
FORM: SOLUTION
STORAGE TEMPERATURE: -20 DEG C
WGK: 1
Specification: ANALYTICAL STANDARD
Concentration: 10 MICROGRAM/ML IN METHANOL

secure_info

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