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4-[(2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-5-[[(2S,3R,4R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-5-[[(5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]indolin-1-yl]butylsulfonyloxysodium (308127-47-1)

Identification
Name:4-[(2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-5-[[(2S,3R,4R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-5-[[(5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]indolin-1-yl]butylsulfonyloxysodium
Synonyms:LogP
CAS:308127-47-1
Molecular Formula: C49H69N4NaO18S2
Molecular Weight: 1089.2079
InChI: InChI=1/C49H70N4O18S2.Na/c1-48(2)32-24-30(46(64)50-26-36(56)42(60)44(62)38(58)28-54)16-18-34(32)52(20-10-12-22-72(66,67)68)40(48)14-8-6-5-7-9-15-41-49(3,4)33-25-31(17-19-35(33)53(41)21-11-13-23-73(69,70)71)47(65)51-27-37(57)43(61)45(63)39(59)29-55;/h5-9,14-19,24-25,36-39,42-45,54-63H,10-13,20-23,26-29H2,1-4H3,(H3-,50,51,64,65,66,67,68,69,70,71);/q;+1/p-1/t36-,37?,38?,39+,42+,43?,44+,45?;/m0./s1/rC49H69N4NaO18S2/c1-48(2)32-24-30(46(65)50-26-36(57)42(61)44(63)38(59)28-55)16-18-34(32)52(20-10-12-22-73(67,68)69)40(48)14-8-6-5-7-9-15-41-49(3,4)33-25-31(47(66)51-27-37(58)43(62)45(64)39(60)29-56)17-19-35(33)53(41)21-11-13-23-74(70,71)72-54/h5-9,14-19,24-25,36-39,42-45,55-64H,10-13,20-23,26-29H2,1-4H3,(H2-,50,51,65,66,67,68,69)/t36-,37?,38?,39+,42+,43?,44+,45?/m0/s1
Molecular Structure: (C49H69N4NaO18S2) LogP
Properties
Safety Data
 

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