S-{(9S)-1-[(2R,3R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-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-3λ⁵,5λ⁵-dip hosphaheptadecan-17-yl} (2E)-3-(4-hydroxyphenyl)-2-propenethioate

Molecular FormulaC₃₀H₄₂N₇O₁₈P₃S
Average mass Da
Monoisotopic mass Da
ChemSpider ID5292365

- Double-bond stereo
- 4 of 5 defined stereocentres

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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E)-3-(4-Hydroxyphényl)-2-propènethioate de S-{(9S)-1-[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tétrahydro-2-furanyl]-3,5,9-trihydroxy-8,8-diméthyl-10,14-dioxo-3,5-dioxydo-2,4,6 ;-trioxa-11,15-diaza-3λ⁵,5λ⁵-diphosphaheptadécan-17-yle} [French] [ACD/IUPAC Name]

9H-Purin-6-amine, 9-[(2ξ)-5-O-[hydroxy[[hydroxy[(3S)-3-hydroxy-4-[[3-[[2-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]thio]ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]phosphinyl]oxy]ph osphinyl]-3-O-phosphono-β-D-threo-pentofuranosyl]- [ACD/Index Name]

S-{(9S)-1-[(2R,3R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-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-3λ⁵,5λ⁵-dip hosphaheptadecan-17-yl} (2E)-3-(4-hydroxyphenyl)-2-propenethioate [ACD/IUPAC Name]

S-{(9S)-1-[(2R,3R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-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-3λ⁵,5λ⁵-dip hosphaheptadecan-17-yl}-(2E)-3-(4-hydroxyphenyl)-2-propenthioat [German] [ACD/IUPAC Name]

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

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S-{(9S)-1-[(2R,3R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-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-3λ⁵,5λ⁵-dip hosphaheptadecan-17-yl} (2E)-3-(4-hydroxyphenyl)-2-propenethioate

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S-{(9S)-1-[(2R,3R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-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-3λ5,5λ5-dip hosphaheptadecan-17-yl} (2E)-3-(4-hydroxyphenyl)-2-propenethioate

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S-{(9S)-1-[(2R,3R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-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-3λ⁵,5λ⁵-dip hosphaheptadecan-17-yl} (2E)-3-(4-hydroxyphenyl)-2-propenethioate