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84878-61-5

Basic Information
CAS No.: 84878-61-5
Name: Maduramycin ammonium
Molecular Structure:
Molecular Structure of 84878-61-5 (Maduramycin ammonium)
Formula: C47H79O17.NH4
Molecular Weight: 934.17
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;
EINECS: 635-502-4
Density: N/A
Melting Point: 173-176oC
Boiling Point: 938.7 °C at 760 mmHg
Flash Point: 521.5 °C
Solubility: N/A
Appearance: White crystalline powder
Hazard Symbols: VeryT+
Risk Codes: 25-27-36
Safety: 26-28-36/37-45
Transport Information: UN 2811
PSA: 211.58000
LogP: 3.35840
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  • Maduramycin Ammonium

  • Casno:

    84878-61-5

    Maduramycin Ammonium

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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