Account S-(2-(3-(4-((((((5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate
- Catalog No. :
- ACGQYG041
- CAS No. :
- 59862-14-5
- Molecular Formula :
- C31H44N7O20P3S
- Molecular Weight :
- 959.71
IUPAC Name:S-(2-(3-(4-((((((5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate
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Product Information
| Product Name | S-(2-(3-(4-((((((5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate |
|---|---|
| IUPAC Name | S-(2-(3-(4-((((((5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate |
| Molecular Formula | C31H44N7O20P3S |
| Molecular Weight | 959.71 |
| SMILES | COC1=CC(/C=C/C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC4=C(N)N=CN=C43)C(O)C2OP(=O)(O)O)=CC(O)=C1O |
| InChI Key | ILSPFIPSQSFPCN-SNAWJCMRSA-N |
| Synonym | C12203;5-hydroxyferuloyl-coenzyme A;5-hydroxyferuloyl-CoA;Coenzyme A, S-[3-(3,4-dihydroxy-5-methoxyphenyl)-2-propenoate] |
| CAS No. | 59862-14-5 |
Synthetic Route by SureRoute
2. ACGQYG041 Molecular Building Block Synthetic Route
Caffeoyl-CoA
(E)-S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 3-(4-hydroxyphenyl)prop-2-enethioate
S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) (E)-3-phenylprop-2-enethioate