Chem
J-GLOBAL ID：201407055639887927   Nikkaji number：J3.309.357H

6β-[(Phosphono)methylphosphonyloxy]-1α,2β,3β,4β,5α-pentakis(phosphonooxy)cyclohexane

6β-[(ホスホノ)メチルホスホニルオキシ]-1α,2β,3β,4β,5α-ペンタキス(ホスホノオキシ)シクロヘキサン
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： C7H21O26P7
Molecular formula furigana： C7-H21-O26-P7
Molecular weight： 738.035
InChI： InChI=1S/C7H21O26P7/c8-34(9,10)1-35(11,12)28-2-3(29-36(13,14)15)5(31-38(19,20)21)7(33-40(25,26)27)6(32-39(22,23)24)4(2)30-37(16,17)18/h2-7H,1H2,(H,11,12)(H2,8,9,10)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/t2-,3-,4+,5+,6-,7+
InChI key： IZNCMXVIYGYGJI-AQWRHFAGSA-N
SMILES： OP(=O)(O)CP(=O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O
Systematic name  (3)：
  • 6β-[(ホスホノ)メチルホスホニルオキシ]-1α,2β,3β,4β,5α-ペンタキス(ホスホノオキシ)シクロヘキサン
  • {[(1R,2s,3S,4R,5s,6S)-2-{[ヒドロキシ(ホスホノメチル)ホスホリル]オキシ}-3,4,5,6-テトラキス(ホスホノオキシ)シクロヘキシル]オキシ}ホスホン酸
  • {[(1R,2s,3S,4R,5s,6S)-2-{[hydroxy(phosphonomethyl)phosphoryl]oxy}-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Other name (1)：
  • 6β-[(Phosphono)methylphosphonyloxy]-1α,2β,3β,4β,5α-pentakis(phosphonooxy)cyclohexane
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