MICROCYSTIN RR
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MICROCYSTIN RR
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CAS No:
111755-37-4
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Formula:
C49H75N13O12
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Chemical Name:
MICROCYSTIN RR
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Synonyms:
MICROCYSTIN RR;MICROCYSTIN-RR, MICROCYSTIS AERUGINOSA;MCYST-RR;microcystin-rr from microcystis*aerguinosa;microcystin rr from microcystis aeruginosa;Microcystin-RRsolution;Cyanoginosin RR;Cyclo[D-Ala-L-Arg-[(3S)-3-methyl-D-βAsp-]-L-Arg-[(2S,3S)-2-methyl-3-[(1E,3E,5S,6S)-3,5-dimethyl-6-methoxy-7-phenyl-1,3-heptadiene-1-yl]-βAla-]-D-γGlu-N-methyl-Dha-]
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CAS No:
Description
Microcystin RR is a microcystin consisting of D-alanyl, L-arginyl, (3S)-3-methyl-D-beta-aspartyl, L-arginyl, (2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. It has a role as a xenobiotic, an environmental contaminant and a bacterial metabolite. It is an organic molecular entity and a microcystin.
Characteristics
408
-3.96
white solid
1.35±0.1 g/cm3(Predicted)
11 °C
1.619
ethanol: water (1:1): 50 mg/mL
−20°C
Microcystin
Safety Information
UN 2811 6.1/PG 2
3
26/27/28-36/37/38-43-39/23/24/25-23/24/25-11
26-36/37/39-45-36/37-16-7
T+,T,F
P260-P264-P280-P284-P301 + P310-P302 + P350
H300-H310-H315-H317-H319-H330-H335
|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:1038.2
XLogP3:-0.2
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:17
Exact Mass:1037.56581488
Monoisotopic Mass:1037.56581488
Topological Polar Surface Area:408
Heavy Atom Count:74
Complexity:2120
Defined Atom Stereocenter Count:10
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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