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Candidin
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Name

Candidin

 EINECS N/A
CAS No. 1405-90-9 Density 1.1480 (rough estimate)
PSA 316.45000 LogP 1.62020
Solubility N/A Melting Point N/A
Formula C46H75NO17 Boiling Point 800.21°C (rough estimate)
Molecular Weight 914.22 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Poison by ingestion, subcutaneous, intraperitoneal, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 1405-90-9 (Amphotericin B, 8,9-dideoxy-10-hydroxy-7-oxo-) Hazard Symbols N/A
Synonyms

8,9-Dideoxy-10-hydroxy-7-oxoamphotericin B;Amphotericin B,8,9-dideoxy-10-hydroxy-7-oxo;CANDIDIN;EINECS 215-788-3;

 

Candidin Chemical Properties

Molecule structure of Candidin (CAS NO.1405-90-9) :

IUPAC Name: (4E,6E,8E,10E,12E,14E,16E)-3-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-19,25,27,32,33,35,37-heptahydroxy-18,20,21-trimethyl-23,29-dioxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid 
Molecular Weight: 922.06314 g/mol
Molecular Formula: C47H71NO17 
Density: 1.32 g/cm3 
Boiling Point: 1140.7 °C at 760 mmHg 
Flash Point: 643.7 °C
Index of Refraction: 1.601
Molar Refractivity: 239.26 cm3
Molar Volume: 697.5 cm3
Polarizability: 94.85×10-24 cm3
Surface Tension: 69.5 dyne/cm 
Enthalpy of Vaporization: 190.05 kJ/mol
XLogP3-AA: -0.4
H-Bond Donor: 11
H-Bond Acceptor: 18
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 921.4722
MonoIsotopic Mass: 921.4722
Topological Polar Surface Area: 317
Heavy Atom Count: 65
Complexity: 1710
Undefined Atom StereoCenter Count: 18
Defined Bond StereoCenter Count: 7
Covalently-Bonded Unit Count: 1
Canonical SMILES: CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(=O)CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
Isomeric SMILES: CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(C(CCC(=O)CC(CC(CC(=O)
OC(C(C1O)C)C)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
InChI: InChI=1S/C47H71NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-30,32-38,40-44,46,50-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+
InChIKey: IBRQTOKMQLIMRF-QVDADOJXSA-N
EINECS: 215-788-3

Candidin Toxicity Data With Reference

1.    

orl-mus LD50:100 mg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds. 2 (1980),288.
2.    

ipr-mus LD50:7 mg/kg

     MEIEDD    Merck Index. 10 (1983),240.
3.    

scu-mus LD50:30 mg/kg

     MEIEDD    Merck Index. 10 (1983),240.
4.    

ivn-mus LD50:1500 µg/kg

     MEIEDD    Merck Index. 10 (1983),240.

Candidin Safety Profile

Poison by ingestion, subcutaneous, intraperitoneal, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx.

Candidin Specification

 Candidin (CAS NO.1405-90-9) is also called 8,9-Dideoxy-10-hydroxy-7-oxoamphotericin B ; Candidine ; Amphotericin B, 8,9-dideoxy-10-hydroxy-7-oxo- . Candidin (CAS NO.1405-90-9) is high toxic. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Candidin (CAS NO.1405-90-9) separate from raw materials of food.

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