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Rubiflavin
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Name

Rubiflavin

 EINECS N/A
CAS No. 11016-71-0 Density 1.37g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula N/A Boiling Point 882.4°C at 760 mmHg
Molecular Weight 730.8431 Flash Point 487.5°C
Transport Information N/A Appearance N/A
Safety Poison by subcutaneous and intraperitoneal routes. Mutation data reported. Risk Codes N/A
Molecular Structure Molecular Structure of 11016-71-0 (10-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-11-hydroxy-5-methyl-2-{2-methyl-3-[(1Z)-prop-1-en-1-yl]oxiran-2-yl}-4H-naphtho[2,3-h]chromen) Hazard Symbols 3
Synonyms

Rubiflavin

 

Rubiflavin Chemical Properties

 Rubiflavin with CAS register number of 11016-71-0 is also named as NSC 105023 ; CID6450217 ; LS-143962 ; B 17476 ,and so on.
IUPAC Name: 10-[(2R,4S,5S,6S)-4-(Dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]naphtho[3,2-h]chromene-4,7,12-trione
CAS: 11016-71-0
Molecualr Formula: C41H50N2O10
Molecular Weight: 730.8431
Molecular structure:
ACD/LogD (pH 5.5):  1.9 
ACD/LogD (pH 7.4):  3.06 
ACD/BCF (pH 5.5):  2.03 
ACD/BCF (pH 7.4):  29 
ACD/KOC (pH 5.5):  4.83 
ACD/KOC (pH 7.4):  69.02 
H bond acceptors:  12 
H bond donors:  3 
Freely Rotating Bonds:  9 
Index of Refraction:  1.652 
Molar Refractivity:  194.59 cm3 
Molar Volume:  532.1 cm3 
Polarizability:  77.14×10-24cm3 
Surface Tension:  67.5 dyne/cm 
Density:  1.37 g/cm3 
Flash Point:  487.5 °C 
Enthalpy of Vaporization:  134.37 kJ/mol 
Boiling Point:  882.4 °C at 760 mmHg 
Vapour Pressure:  2.32E-33 mmHg at 25°C

Rubiflavin Uses

 Rubiflavin (CAS No.11016-71-0) is supposed to be used as chemical reagent.

Rubiflavin Toxicity Data With Reference

1.    

dnd-esc 10 mg/L

     MUREAV    Mutation Research. 89 (1981),95.
2.    

pic-esc 1 ng/plate

     CNREA8    Cancer Research. 43 (1983),2819.
3.    

ipr-mus LD50:15 mg/kg

     85ERAY    Antibiotics: Origin, Nature, and Properties. 2 (1978),1438.
4.    

scu-mus LD50:14,310 µg/kg

     NCISP*    National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 .

Rubiflavin Safety Profile

 Rubiflavin (CAS No.11016-71-0) is poisonous by subcutaneous and intraperitoneal routes. Mutation data reported.

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