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Details

Stereochemistry ABSOLUTE
Molecular Formula C79H140N11O35P
Molecular Weight 1834.9834
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISIS-757456 CYTOSINE PHOSPHATE 5'-MODIFICATION

SMILES

COCCO[C@@H]1[C@H](O)[C@@H](COP(O)(=O)OCCCCCCNC(=O)CCCC(=O)NC(COCCC(=O)NCCCCCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)(COCCC(=O)NCCCCCCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)COCCC(=O)NCCCCCCO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)O[C@H]1N5C=C(C)C(N)=NC5=O

InChI

InChIKey=GFMGRSISOLBXDM-JLABLLMTSA-N
InChI=1S/C79H140N11O35P/c1-49-41-90(78(109)88-73(49)80)74-72(116-40-39-112-5)68(105)56(122-74)45-121-126(110,111)120-35-21-13-9-17-28-81-57(97)23-22-24-61(101)89-79(46-113-36-25-58(98)82-29-14-6-10-18-32-117-75-62(85-50(2)94)69(106)65(102)53(42-91)123-75,47-114-37-26-59(99)83-30-15-7-11-19-33-118-76-63(86-51(3)95)70(107)66(103)54(43-92)124-76)48-115-38-27-60(100)84-31-16-8-12-20-34-119-77-64(87-52(4)96)71(108)67(104)55(44-93)125-77/h41,53-56,62-72,74-77,91-93,102-108H,6-40,42-48H2,1-5H3,(H,81,97)(H,82,98)(H,83,99)(H,84,100)(H,85,94)(H,86,95)(H,87,96)(H,89,101)(H,110,111)(H2,80,88,109)/t53-,54-,55-,56-,62-,63-,64-,65+,66+,67+,68-,69-,70-,71-,72-,74-,75-,76-,77-/m1/s1

HIDE SMILES / InChI

Molecular Formula C79H140N11O35P
Molecular Weight 1834.9834
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:56:48 GMT 2023
Edited
by admin
on Sat Dec 16 14:56:48 GMT 2023
Record UNII
49G0W4AL3R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISIS-757456 CYTOSINE PHOSPHATE 5'-MODIFICATION
Code English
ISIS-702843 CYTOSINE PHOSPHATE 5'-MODIFICATION
Common Name English
Code System Code Type Description
FDA UNII
49G0W4AL3R
Created by admin on Sat Dec 16 14:56:48 GMT 2023 , Edited by admin on Sat Dec 16 14:56:48 GMT 2023
PRIMARY
PUBCHEM
137331894
Created by admin on Sat Dec 16 14:56:48 GMT 2023 , Edited by admin on Sat Dec 16 14:56:48 GMT 2023
PRIMARY