ZOW

(1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)]

Created: 2023-06-29
Last modified:  2023-11-15

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count6
Bond Count54
Aromatic Bond Count0
2D diagram of ZOW
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Chemical Component Summary

Name(1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)]
Systematic Name (OpenEye OEToolkits)[(1~{R},2~{S},3~{S},4~{R},5~{S},6~{S})-2,3-bis(oxidanyl)-4-[oxidanyl(phosphonooxy)phosphoryl]oxy-5,6-diphosphonooxy-cyclohexyl] phosphono hydrogen phosphate
FormulaC6 H18 O24 P6
Molecular Weight660.035
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01OP(=O)(O)OC1C(OP(=O)(O)OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)OP(=O)(O)O)C1OP(=O)(O)O
SMILESCACTVS3.385O[CH]1[CH](O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(=O)O[P](O)(O)=O
SMILESOpenEye OEToolkits2.0.7C1(C(C(C(C(C1OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)O
Canonical SMILESCACTVS3.385 O[C@H]1[C@H](O)[C@@H](O[P](O)(=O)O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@H]1O[P](O)(=O)O[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)O
InChIInChI1.06 InChI=1S/C6H18O24P6/c7-1-2(8)4(28-36(23,24)30-34(18,19)20)6(26-32(12,13)14)5(25-31(9,10)11)3(1)27-35(21,22)29-33(15,16)17/h1-8H,(H,21,22)(H,23,24)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3+,4+,5-,6-/m0/s1
InChIKeyInChI1.06 YTZCXAMBYZGQAA-VTJCEZEHSA-N

Related Resource References

Resource NameReference
PubChem 169409303