Chem
J-GLOBAL ID:200907016809444680   Nikkaji number:J789.970J

Dithiophosphoric acid O-(2α,3α,4β,5α,6β-pentahydroxycyclohexan-1α-yl)O-[2,3-bis(hexanoyloxy)propyl] ester

ジチオりん酸O-(2α,3α,4β,5α,6β-ペンタヒドロキシシクロヘキサン-1α-イル)O-[2,3-ビス(ヘキサノイルオキシ)プロピル]
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: C21H39O11PS2
Molecular formula furigana: C21-H39-O11-P-S2
Molecular weight: 562.630
InChI: InChI=1S/C21H39O11PS2/c1-3-5-7-9-14(22)29-11-13(31-15(23)10-8-6-4-2)12-30-33(34,35)32-21-19(27)17(25)16(24)18(26)20(21)28/h13,16-21,24-28H,3-12H2,1-2H3,(H,34,35)/t13?,16-,17-,18+,19-,20-,21?/m1/s1
InChI key: DOONPBPCLVFHDB-TUKZWUFKSA-N
SMILES: CCCCCC(=O)OCC(COP(=S)(S)OC1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCC
Systematic name  (3):
  • ジチオりん酸O-(2α,3α,4β,5α,6β-ペンタヒドロキシシクロヘキサン-1α-イル)O-[2,3-ビス(ヘキサノイルオキシ)プロピル]
  • 1-(ヘキサノイルオキシ)-3-[({[(2R,3R,4S,5S,6R)-2,3,4,5,6-ペンタヒドロキシシクロヘキシル]オキシ}(スルファニル)スルファニリデン-λ5-ホスファニル)オキシ]プロパン-2-イル ヘキサノアート
  • 1-(hexanoyloxy)-3-[({[(2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}(sulfanyl)sulfanylidene-λ5-phosphanyl)oxy]propan-2-yl hexanoate
Other name (1):
  • Dithiophosphoric acid O-(2α,3α,4β,5α,6β-pentahydroxycyclohexan-1α-yl)O-[2,3-bis(hexanoyloxy)propyl] ester
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