Try beta.chemspider
- Double-bond stereo
- 4 of 4 defined stereocentres
S-{(9R)-1-[(2R,3R,5R)-5-(6-Amino-9H-purin-9-yl)-4-oxo-3-(phosphonooxy)tetrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosp haheptadecan-17-yl} (2E)-2,5-hexadienethioate (non-preferred name)
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(=O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CC=C
InChI=1S/C27H40N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h4,6-7,14-16,21-22,26,38H,1,5,8-13H2,2-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b7-6+/t16-,21-,22+,26-/m1/s1
PWFQYQVDZLHZCG-QRNWTAHJSA-N
CSID:61714923, http://www.chemspider.com/Chemical-Structure.61714923.html (accessed 13:53, Jun 14, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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