Chem
J-GLOBAL ID:200907017175122303   Nikkaji number:J548.789G

TSOA

(1S,3R,4R)-9-アミノ-1-(tert-ブチルジメチルシリルオキシメチル)-3-[(2,4-ジオキソ-3,5-ジメチル-1,2,3,4-テトラヒドロピリミジン)-1-イル]-4-(tert-ブチルジメチルシリルオキシ)-2-オキサ-7-チアスピロ[4.4]ノナ-8-エン7,7-ジオキシド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C26H47N3O5[O-]2[S+2]Si2
Molecular formula furigana: C26-H47-N3-O7-S-SI2
Molecular weight: 601.910
InChI: InChI=1S/C26H47N3O7SSi2/c1-17-13-29(23(31)28(8)21(17)30)22-20(36-39(11,12)25(5,6)7)26(16-37(32,33)15-18(26)27)19(35-22)14-34-38(9,10)24(2,3)4/h13,15,19-20,22H,14,16,27H2,1-12H3/t19-,20+,22-,26?/m1/s1
InChI key: UWAMQCVWYOYCPG-SACATOBUSA-N
SMILES: Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C3(C[S+2]([O-])([O-])C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O
Systematic name  (3):
  • (1S,3R,4R)-9-アミノ-1-(tert-ブチルジメチルシリルオキシメチル)-3-[(2,4-ジオキソ-3,5-ジメチル-1,2,3,4-テトラヒドロピリミジン)-1-イル]-4-(tert-ブチルジメチルシリルオキシ)-2-オキサ-7-チアスピロ[4.4]ノナ-8-エン7,7-ジオキシド
  • (1S,3R,4R)-9-アミノ-4-[(tert-ブチルジメチルシリル)オキシ]-1-{[(tert-ブチルジメチルシリル)オキシ]メチル}-3-(3,5-ジメチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-2-オキサ-7-チアスピロ[4.4]ノナ-8-エン-7,7-ジイウム-7,7-ビス(オラート)
  • (1S,3R,4R)-9-amino-4-[(tert-butyldimethylsilyl)oxy]-1-{[(tert-butyldimethylsilyl)oxy]methyl}-3-(3,5-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-oxa-7-thiaspiro[4.4]non-8-ene-7,7-diium-7,7-bis(olate)
Other name (2):
  • TSOA
  • (1S,3R,4R)-9-Amino-1-(tert-butyldimethylsilyloxymethyl)-3-[(2,4-dioxo-3,5-dimethyl-1,2,3,4-tetrahydropyrimidin)-1-yl]-4-(tert-butyldimethylsilyloxy)-2-oxa-7-thiaspiro[4.4]non-8-ene 7,7-dioxide
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