Chemical Compound

s-{(9r)-1-[(2r,3s,4r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3|E5,5|E5-diphosphaheptadecan-17-yl} benzenecarbothioate(non-preferred name)

Name: s-{(9r)-1-[(2r,3s,4r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3|E5,5|E5-diphosphaheptadecan-17-yl} benzenecarbothioate(non-preferred name)
Brand: EASY CDMO
SKU: 122174

CAS Registry Number 6756-74-7

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Primary record

s-{(9r)-1-[(2r,3s,4r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3|E5,5|E5-diphosphaheptadecan-17-yl} benzenecarbothioate(non-preferred name)

库存: 9,543 克
纯度: 99.2 %
CAS: 6756-74-7

化合物标识与属性

CAS: 6756-74-7
PubChem CID: 122174
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC=CC=C4)O
Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1

名称与同义词

benzoyl-coenzyme A
Benzoyl-coa
Benzoyl CoA
Coenzyme A, benzoyl-
Benzoyl Coenzyme A
Coenzyme A, S-benzoate
RefChem:916970
AC1L3U4G
UNII-94E93R5B3D
C28H40N7O17P3S
94E93R5B3D
AR-1L3753
CID122174
Benzoyl-CoA; (Acyl-CoA); [M+H]+;
C28-H40-N7-O17-P3-S
6756-74-7
Benzoic acid, thio-, S-ester with coenzyme A
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] benzenecarbothioate
68288-71-1
s-{(9r)-1-[(2r,3s,4r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3|E5,5|E5-diphosphaheptadecan-17-yl} benzenecarbothioate(non-preferred name)