[2-[4,6-diamino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-4,5-dihydroxy-6-[[4-(4-methoxy-3-sulfo-phenyl)-2,6-bis(4-sulfophenyl)pyridin-1-yl]methyl]oxan-3-yl]azanium
Molecular Formula:
C42H55N5O20S3+2
InChI: InChI=1/C42H53N5O20S3/c1-63-28-11-6-20(14-31(28)70(60,61)62)21-12-26(18-2-7-22(8-3-18)68(54,55)56)47(27(13-21)19-4-9-23(10-5-19)69(57,58)59)16-29-35(50)36(51)33(46)41(64-29)66-39-24(43)15-25(44)40(38(39)53)67-42-37(52)32(45)34(49)30(17-48)65-42/h2-14,24-25,29-30,32-42,48-53H,15-17,43-46H2,1H3,(H2-,54,55,56,57,58,59,60,61,62)/p+2/fC42H55N5O20S3/h46,54,57,60H/q+2
InChIKey: InChIKey=VQACJFJFDJOWGR-PWPWAHPCCV
SMILES: COC1=C(C=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)S(=O)(=O)O)CC4C(C(C(C(O4)OC5C(CC(C(C5O)OC6C(C(C(C(O6)CO)O)N)O)N)N)[NH3+])O)O)C7=CC=C(C=C7)S(=O)(=O)O)S(=O)(=O)O
Names:
[2-[4,6-diamino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-4,5-dihydroxy-6-[[4-(4-methoxy-3-sulfo-phenyl)-2,6-bis(4-sulfophenyl)pyridin-1-yl]methyl]oxan-3-yl]azanium
Registries:
PubChem CID 3540672
PubChem ID 4782428
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