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Details

Stereochemistry ABSOLUTE
Molecular Formula C88H150N16O36P
Molecular Weight 2039.192
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 20
E/Z Centers 0
Charge -1

SHOW SMILES / InChI
Structure of ADENINE, TEMAVIRSEN MODIFICATION-

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCOC2O[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=PCIULCCHLQRWEN-SQPZCNKISA-M
InChI=1S/C88H151N16O36P/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)/p-1/t57-,58+,59-,60+,61+,62+,63+,72+,73+,74+,75+,77-,78-,79-,80+,81+,82+,85+,86?,87?,88?/m0/s1

HIDE SMILES / InChI

Molecular Formula C88H151N16O36P
Molecular Weight 2040.1999
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 18 / 20
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:10:34 UTC 2023
Edited
by admin
on Sat Dec 16 16:10:34 UTC 2023
Record UNII
ZSE1KHQ5QS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADENINE, TEMAVIRSEN MODIFICATION-
Common Name English
Code System Code Type Description
FDA UNII
ZSE1KHQ5QS
Created by admin on Sat Dec 16 16:10:34 UTC 2023 , Edited by admin on Sat Dec 16 16:10:34 UTC 2023
PRIMARY
PUBCHEM
154584863
Created by admin on Sat Dec 16 16:10:34 UTC 2023 , Edited by admin on Sat Dec 16 16:10:34 UTC 2023
PRIMARY
Related Record Type Details
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