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Maduramycin ammonium (84878-61-5)

Identification
Name:Maduramycin ammonium
Synonyms:2H-Pyran-2-acetic acid,6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-[(2,6-dideoxy-3,4-di-O-methyl-b-L-arabino-hexopyranosyl)oxy]octahydro-2-methyl-5'-[(2S,3S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl][2,2'-bifuran]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]tetrahydro-2-hydroxy-4,5-dimethoxy-3-methyl-,ammonium salt (1:1), (2R,3S,4S,5R,6S)-;2H-Pyran-2-aceticacid,6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-[(2,6-dideoxy-3,4-di-O-methyl-b-L-arabino-hexopyranosyl)oxy]octahydro-2-methyl-5'-[(2S,3S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl][2,2'-bifuran]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]tetrahydro-2-hydroxy-4,5-dimethoxy-3-methyl-,monoammonium salt, (2R,3S,4S,5R,6S)- (9CI);Maduramicin a, monoammonium salt;1,6-Dioxaspiro[4.5]decane, maduramicin a deriv.;CL 259971;Cygro;Maduramicin;Prinicin ammonium;Maduramicin;
CAS:84878-61-5
Molecular Formula: C47H79O17.NH4
Molecular Weight: 934.17
InChI: InChI=1/C47H80O17.H3N/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50;/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50);1H3/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+;/m0./s1
Molecular Structure: (C47H79O17.NH4) 2H-Pyran-2-acetic acid,6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-[(2,6-dideoxy-3,4-di-O-...
Properties
Transport:UN 2811
Appearance:White crystalline powder
Specification:

The Maduramycin ammonium, with the CAS registry number 84878-61-5, is also known as Prinicin ammonium. It belongs to the product categories of Active Pharmaceutical Ingredients; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals and API's. This chemical's molecular formula is C47H83NO17 and molecular weight is 934.17. What's more, its IUPAC name is Azane and systematic name is called Ammonium [(2R,3S,4S,5R,6S)-6-{(1R)-1-[(2S,5R,7S,8R,9S)-2-{(2S,2'R,3'S,5R,5'R)-3'-{[(4S,5S,6S)-4,5-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5'-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl]-2-methyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl}-2-hydroxy-4,5-dimethoxy-3-methyltetrahydro-2H-pyran-2-yl]acetate (non-preferred name). Classification code of Maduramycin ammonium is Anticoccidal.

Physical properties about this chemical are: (1) #H bond acceptors: 18; (2) #H bond donors: 7; (3) #Freely Rotating Bonds: 16; (4) Polar Surface Area: 211.58 Å2; (5) Flash Point: 521.5 °C; (6) Enthalpy of Vaporization: 154.96 kJ/mol; (7) Boiling Point: 938.7 °C at 760 mmHg; (8) Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with Maduramycin ammonium, you should be very careful. This chemical is irritating to eyes and at very low levels may cause damage to health. In addition, this chemical is very toxic if swallowed and in contact with skin. Therefore, you should wear suitable protective clothing, gloves and in case of accident or if you feel unwell seek medical advice immediately. After contacting with skin, you should wash immediately. If contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES:[NH4+].CO[C@H]1CC(O[C@@H](C)[C@@H]1OC)O[C@H]2C[C@@H](O[C@H]2[C@]3(C)CC[C@@H](O3)[C@]4(C)CC[C@@]5(O4)C[C@H](O)[C@@H](C)[C@H](O5)[C@@H](C)[C@@H]6O[C@](O)(CC([O-])=O)[C@@H](C)[C@H](OC)[C@H]6OC)[C@H]7O[C@ ](C)(O)[C@H](C)C[C@@H]7C
(2) InChI:InChI=1/C47H80O17.H3N/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50;/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50);1H3/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35?,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+;/m0./s1
(3) InChIKey: WQGJEAMPBSZCIF-VEKNOCPUBO

Packinggroup: III
Storage Temperature: 0-6°C
Usage:Polyether antibiotic chemically related to the lonomycins. Coccidiostat
Safety Data
Hazard Symbols T+:Verytoxic