Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C88H150N16O36P.Na |
Molecular Weight | 2062.1817 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 20 / 20 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)NC(=O)CCCCCCCCCCC(=O)N4C[C@H](O)C[C@H]4COP([O-])(=O)O[C@H]5C[C@@H](O[C@@H]5CO)N6C=NC7=C6N=CN=C7N
InChI
InChIKey=PDNLGESEXNHJNN-ZKMHUCFFSA-M
InChI=1S/C88H151N16O36P.Na/c1-54(109)99-73-80(124)77(121)61(45-106)137-85(73)132-35-15-12-21-64(113)90-29-18-32-93-67(116)26-38-129-49-88(50-130-39-27-68(117)94-33-19-30-91-65(114)22-13-16-36-133-86-74(100-55(2)110)81(125)78(122)62(46-107)138-86,51-131-40-28-69(118)95-34-20-31-92-66(115)23-14-17-37-134-87-75(101-56(3)111)82(126)79(123)63(47-108)139-87)102-70(119)24-10-8-6-4-5-7-9-11-25-71(120)103-43-58(112)41-57(103)48-135-141(127,128)140-59-42-72(136-60(59)44-105)104-53-98-76-83(89)96-52-97-84(76)104;/h52-53,57-63,72-75,77-82,85-87,105-108,112,121-126H,4-51H2,1-3H3,(H,90,113)(H,91,114)(H,92,115)(H,93,116)(H,94,117)(H,95,118)(H,99,109)(H,100,110)(H,101,111)(H,102,119)(H,127,128)(H2,89,96,97);/q;+1/p-1/t57-,58+,59-,60+,61+,62+,63+,72+,73+,74+,75+,77-,78-,79-,80+,81+,82+,85+,86+,87+;/m0./s1
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 |
Molecular Formula | C88H150N16O36P |
Molecular Weight | 2039.192 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 20 / 20 |
E/Z Centers | 3 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:22:25 GMT 2023
by
admin
on
Sat Dec 16 13:22:25 GMT 2023
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Record UNII |
U6YPF7NG9L
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Record Status |
Validated (UNII)
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Record Version |
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-
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U6YPF7NG9L
Created by
admin on Sat Dec 16 13:22:25 GMT 2023 , Edited by admin on Sat Dec 16 13:22:25 GMT 2023
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134687377
Created by
admin on Sat Dec 16 13:22:25 GMT 2023 , Edited by admin on Sat Dec 16 13:22:25 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |