Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 4C22H24N2O8.2Na.H6O18P6 |
Molecular Weight | 2303.5972 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 24 / 24 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[NaH].[NaH].OP1(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)O1.[H][C@@]23[C@@H](C)C4=C(C(O)=CC=C4)C(=O)C2=C(O)[C@]5(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]5([H])[C@H]3O.[H][C@@]67[C@@H](C)C8=C(C(O)=CC=C8)C(=O)C6=C(O)[C@]9(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]9([H])[C@H]7O.[H][C@@]%10%11[C@@H](C)C%12=C(C(O)=CC=C%12)C(=O)C%10=C(O)[C@]%13(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]%13([H])[C@H]%11O.[H][C@@]%14%15[C@@H](C)C%16=C(C(O)=CC=C%16)C(=O)C%14=C(O)[C@]%17(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]%17([H])[C@H]%15O
InChI
InChIKey=NPUXZIOWOLIMSJ-FKEJRSFCSA-N
InChI=1S/4C22H24N2O8.2Na.H6O18P6.2H/c4*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19;;/h4*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12);;/t4*7-,10+,14+,15-,17-,22-;;;;;/m0000...../s1
Molecular Formula | H6O18P6 |
Molecular Weight | 479.8794 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C22H24N2O8 |
Molecular Weight | 444.4346 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 6 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:40:00 GMT 2023
by
admin
on
Sat Dec 16 13:40:00 GMT 2023
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Record UNII |
ZCL646G7KJ
|
Record Status |
Validated (UNII)
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Record Version |
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-
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54697250
Created by
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ZCL646G7KJ
Created by
admin on Sat Dec 16 13:40:00 GMT 2023 , Edited by admin on Sat Dec 16 13:40:00 GMT 2023
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57877-50-6
Created by
admin on Sat Dec 16 13:40:00 GMT 2023 , Edited by admin on Sat Dec 16 13:40:00 GMT 2023
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PRIMARY |