NSC140494

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Creator
US National Cancer Institute
Publication Date
2006-01-12
Alternative Title
Thymidine, uridylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')- thymidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-thymidylyl- (5'-3')-2'-deoxyguanylyl-(5'-3')-, 5'-(dihydrogen phosphate), octaammonium salt
Publisher
Unilever Center for Molecular Informatics, Cambridge University
Language
en_GB
Type
Chemical Structures
Metadata
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Citation
Unknown author (2006). NSC140494. [chemical structure]. http://www.dspace.cam.ac.uk/handle/1810/110153
Identifiers
NSC140494
This record's URL: http://www.dspace.cam.ac.uk/handle/1810/110153
IUPAC Chemical Identifier (IChI): C69H88N23O48P7,1H3-25-6H-87(45(101)83H-35(25)94)61H-12H2-48H(54H(128-61)18H2-121-141(104,113H)114H)135-142(105,115H)124-21H2-57H-51H(15H2-64H(131-57)90-9H-73-29-32(90)76-41(70H2)80H-38(29)97)138-145(108,118H)122-19H2-55H-49H(13H2-62H(129-55)88-7H-26(2H3)36(95)84H-46(88)102)136-143(106,116H)125-22H2-58H-52H(16H2-65H(132-58)91-10H-74-30-33(91)77-42(71H2)81H-39(30)98)139-146(109,119H)123-20H2-56H-50H(14H2-63H(130-56)89-8H-27(3H3)37(96)85H-47(89)103)137-144(107,117H)126-23H2-59H-53H(17H2-66H(133-59)92-11H-75-31-34(92)78-43(72H2)82H-40(31)99)140-147(110,120H)127-24H2-60H-67H(111H)68H(112H)69H(134-60)86-5H-4H-28(93)79H-44(86)100
IUPAC/NIST Chemical Identifier (INChI): InChI=1S/C69H88N23O48P7/c1-25-12-87(67(103)83-56(25)96)42-6-28(34(128-42)15-121-141(106,107)108)135-142(109,110)124-18-37-31(9-45(131-37)90-22-73-48-53(90)77-63(70)80-59(48)99)138-145(115,116)122-16-35-29(7-43(129-35)88-13-26(2)57(97)84-68(88)104)136-143(111,112)125-19-38-32(10-46(132-38)91-23-74-49-54(91)78-64(71)81-60(49)100)139-146(117,118)123-17-36-30(8-44(130-36)89-14-27(3)58(98)85-69(89)105)137-144(113,114)126-20-39-33(11-47(133-39)92-24-75-50-55(92)79-65(72)82-61(50)101)140-147(119,120)127-21-40-51(94)52(95)62(134-40)86-5-4-41(93)76-66(86)102/h4-5,12-14,22-24,28-40,42-47,51-52,62,94-95H,6-11,15-21H2,1-3H3,(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,76,93,102)(H,83,96,103)(H,84,97,104)(H,85,98,105)(H2,106,107,108)(H3,70,77,80,99)(H3,71,78,81,100)(H3,72,79,82,101)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,42+,43+,44+,45+,46+,47+,51+,52-,62+/m1/s1
IUPAC/NIST Chemical Identifier Key (INChI): PERWVSUVFJIWLN-QXPDHJEOSA-N