CAS No. 114870-03-0

 

Product Information

Chemical Formula: C31H43N3Na10O49S8
Linear Formula:C31H43N3O49S8(10-)*10Na(1+)
Molecular Weight:1728.08
Synonyms:Decasodium (2R,3S,4S,5R,6R)-3-[(2R,3R,4R,6R)-5-[(2R,3R,4S,5S,6S)-6-Carboxylato-5-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-3-(Sulfonatoamino)-6-(Sulfonatooxymethyl)Oxan-2-Yl]Oxy-3,4-Dihydroxy-Oxan-2-Yl]Oxy-3-(Sulfonatoamino)-4-Sulfonatooxy-6-(Sulfonatooxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-[(2R,3S,4R,5R,6S)-4-Hydroxy-6-Methoxy-5-(Sulfonatoamino)-2-(Sulfonatooxymethyl)Oxan-3-Yl]Oxy-5-Sulfonatooxy-Oxane-2-Carboxylate; Decasodium (2R,3S,4S,5R,6R)-3-({(2R,3R,4R,5R,6R)-5-{[(2R,3R,4R,5S,6S)-6-Carboxylato-5-({(2R,3R,4R,5S,6R)-4,5-Dihydroxy-3-(Sulfonatoamino)-6-[(Sulfonatooxy)Methyl]Tetrahydro-2H-Pyran-2-Yl}Oxy)-3,4-Dihydroxytetrahydro-2H-Pyran-2-Yl]Oxy}-3-(Sulfonatoamino)-4-(Sulfonatooxy)-6-[(Sulfonatooxy)Methyl]Tetrahydro-2H-Pyran-2-Yl}Oxy)-4-Hydroxy-6-({(2R,3S,4R,5R,6S)-4-Hydroxy-6-Methoxy-5-(Sulfonatoamino)-2-[(Sulfonatooxy)Methyl]Tetrahydro-2H-Pyran-3-Yl}Oxy)-5-(Sulfonatooxy)Tetrahydro-2H-Pyran-2-Carboxylate (Non-Preferred Name)
MDL No.:MFCD06794972
EINECS / EC No.:N/A
Pubchem CID:636380
IUPAC Name:decasodium;(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylate
Standard InchI:InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-10/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1
InchI Key:XEKSTYNIJLDDAZ-JASSWCPGSA-D
SMILES:COC1C(C(C(C(O1)COS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])OC3C(C(C(C(O3)COS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC5C(C(C(C(O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Appearance:-
Melting Point:N/A
Boiling Point:N/A
Density (Theoretical):N/A

Safety Information

Signal Word: Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07