Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C53H79N4O51S8.9Na |
Molecular Weight | 2051.618 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 28 / 28 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)N[C@H]3[C@@H](O[C@@]4([H])[C@H](OC)[C@@H](OC)[C@H](O[C@]5([H])[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@]6([H])[C@H](OC)[C@@H](OC)[C@H](O[C@]7([H])[C@@H](COS([O-])(=O)=O)O[C@H](OC)[C@H](OS([O-])(=O)=O)[C@H]7OS([O-])(=O)=O)O[C@H]6C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]5OS([O-])(=O)=O)O[C@@H]4C([O-])=O)O[C@H](COS([O-])(=O)=O)[C@@H](OC)[C@@H]3OC)[C@@]1([H])NC(=O)N2
InChI
InChIKey=LJNNVCTYYRPPRZ-GDNXFURLSA-E
InChI=1S/C53H88N4O51S8.9Na/c1-86-30-22(17-93-110(65,66)67)96-48(29(33(30)87-2)56-27(59)15-9-8-12-16-54-26(58)14-11-10-13-25-28-21(20-109-25)55-53(64)57-28)101-36-34(88-3)42(90-5)50(103-40(36)46(60)61)100-32-24(19-95-112(71,72)73)98-52(45(108-116(83,84)85)39(32)106-114(77,78)79)102-37-35(89-4)43(91-6)51(104-41(37)47(62)63)99-31-23(18-94-111(68,69)70)97-49(92-7)44(107-115(80,81)82)38(31)105-113(74,75)76;;;;;;;;;/h21-25,28-45,48-52H,8-20H2,1-7H3,(H,54,58)(H,56,59)(H,60,61)(H,62,63)(H2,55,57,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85);;;;;;;;;/q;9*+1/p-9/t21-,22+,23+,24+,25-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,48+,49-,50+,51+,52+;;;;;;;;;/m0........./s1
Molecular Formula | C53H79N4O51S8 |
Molecular Weight | 1844.711 |
Charge | -9 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 28 / 28 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:10:28 UTC 2023
by
admin
on
Sat Dec 16 08:10:28 UTC 2023
|
Record UNII |
K2T918I23K
|
Record Status |
Validated (UNII)
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Record Version |
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-
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100000175081
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405159-59-3
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DTXSID40193526
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C170050
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K2T918I23K
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16202212
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8773
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admin on Sat Dec 16 08:10:28 UTC 2023 , Edited by admin on Sat Dec 16 08:10:28 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |