Product Name

  • Name

    MYRIOCIN

  • EINECS 636-862-5
  • CAS No. 35891-70-4
  • Article Data11
  • CAS DataBase
  • Density 1.123 g/cm3
  • Solubility methanol: 2 mg/mL
  • Melting Point 170-172℃
  • Formula C21H39NO6
  • Boiling Point 636.7 °C at 760 mmHg
  • Molecular Weight 401.544
  • Flash Point 338.8 °C
  • Transport Information
  • Appearance
  • Safety 24/25
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 35891-70-4 (MYRIOCIN)
  • Hazard Symbols IrritantXi; HarmfulXn
  • Synonyms 6-Eicosenoicacid, 2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-, [2S-(2R*,3S*,4S*,6E)]-;(+)-Myriocin;(2S,3R,4R)-(E)-2-Amino-3,4-dihydroxy-2-hydroxymethyl-14-oxoeicos-6-enoic acid;ISP-I;Myriocin;Thermozymocidin;(E)-(2S,3R,4R)-2-Amino-3,4-dihydroxy-2-hydroxymethyl-14-oxo-icos-6-enoic acid;
  • PSA 141.08000
  • LogP 3.00930

6-Eicosenoic acid,2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-, (2S,3R,4R,6E)- Specification

The 6-Eicosenoic acid,2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-, (2S,3R,4R,6E)-, with the CAS registry number 35891-70-4, has the systematic name of (2S,3R,4R,6E)-2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid. It is a kind of off-white powder, and it is also harmful if swallowed. The molecular formula of the chemical is C21H39NO6. What's more, it should be stored at 2-8°C.

The characteristics of 6-Eicosenoic acid,2-amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-, (2S,3R,4R,6E)- are as followings: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 2.93; (6)ACD/BCF (pH 7.4): 2.85; (7)ACD/KOC (pH 5.5): 14.65; (8)ACD/KOC (pH 7.4): 14.21; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 74.3 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 109.01 cm3; (15)Molar Volume: 357.5 cm3; (16)Polarizability: 43.21×10-24cm3; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.123 g/cm3; (19)Flash Point: 338.8 °C; (20)Enthalpy of Vaporization: 107.77 kJ/mol; (21)Boiling Point: 636.7 °C at 760 mmHg; (22)Vapour Pressure: 6.88E-19 mmHg at 25°C. 
 
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better wear suitable protective clothing. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@@](N)([C@@H](O)[C@H](O)C/C=C/CCCCCCC(=O)CCCCCC)CO
(2)InChI: InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1
(3)InChIKey: ZZIKIHCNFWXKDY-GNTQXERDBW

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo subcutaneous 250ug/kg (0.25mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 3, Pg. 2067, 1978.
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   Journal of Antibiotics. Vol. 25, Pg. 109, 1972.
mouse LD50 oral 300mg/kg (300mg/kg)   Journal of Antibiotics. Vol. 25, Pg. 109, 1972.
rat LD50 intraperitoneal 2mg/kg (2mg/kg)   Journal of Antibiotics. Vol. 25, Pg. 109, 1972.

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