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12706-94-4

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Basic Information
CAS No.: 12706-94-4
Name: hikizimycin
Article Data: 3
Molecular Structure:
Molecular Structure of 12706-94-4 (hikizimycin)
Formula: C21H37 N5 O14
Molecular Weight: 583.55
Synonyms: Antelmycin;Anthelmycin; Hikizimycin; NSC 337588
Density: 2.08g/cm3
Boiling Point: 1030.2°Cat760mmHg
Flash Point: 576.8°C
Safety: Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 342.94000
LogP: -6.65880
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Chemistry

IUPAC Name: 4-Amino-1-[5-amino-6-[1-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6-pentahydroxyhexyl]-3,4-dihydroxyoxan-2-yl]pyrimidin-2-one
Synonyms of Anthelmycin (CAS NO.12706-94-4): Antelmicina ; Antelmycine ; Antelmycinum ; 1-N-(2-O-(3-Amino-3-deoxy-beta-D-glucopyranosyl)-4-amino-4-deoxy-D-glycero-D-gal acto-D-gluco-beta-D-undecapyranosyl)cytosine ; 2(1H)-Pyrimidinone, 4-amino-1-(4-amino-6-O-(3-amino-3-deoxy-beta-D-glucopyranosyl)-4-deoxy-D-glycero-D-galacto-beta-D-gluco-undecopyranosyl)-
CAS NO: 12706-94-4
Molecular Formula: C21H37N5O14
Molecular Weight : 583.5436
Molecular Structure:

H bond acceptors: 19
H bond donors: 16
Freely Rotating Bonds: 22
Polar Surface Area: 162.38Å2
Index of Refraction: 1.785
Molar Refractivity: 117.97 cm3
Molar Volume: 279.7 cm3
Surface Tension: 105.1 dyne/cm
Density: 2.08 g/cm3
Flash Point: 576.8 °C
Enthalpy of Vaporization: 170.49 kJ/mol
Boiling Point: 1030.2 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5mg/kg (5mg/kg)   Journal of Antibiotics, Series A. Vol. 17, Pg. 100, 1964.
mouse LD50 oral 125mg/kg (125mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 227, 1981.

Safety Profile

Poison by ingestion and intravenous routes. When Anthelmycin (CAS NO.12706-94-4) is heated to decomposition, it emits toxic fumes of NOx.