5OV

(3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol

Created: 2021-07-13
Last modified:  2022-07-27

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count6
Bond Count30
Aromatic Bond Count0
2D diagram of 5OV
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Chemical Component Summary

Name(3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol
SynonymsCyclophellitol Sulfamidate probe KK131
Systematic Name (OpenEye OEToolkits)(3~{a}~{R},4~{S},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol
FormulaC7 H13 N O7 S
Molecular Weight255.246
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[S](=O)(=O)O[CH]12
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(C2C1OS(=O)(=O)N2)O)O)O)O
Canonical SMILESCACTVS3.385 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H]2N[S](=O)(=O)O[C@@H]12
Canonical SMILESOpenEye OEToolkits2.0.7 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)N2)O)O)O)O
InChIInChI1.03 InChI=1S/C7H13NO7S/c9-1-2-4(10)6(12)5(11)3-7(2)15-16(13,14)8-3/h2-12H,1H2/t2-,3-,4-,5+,6+,7+/m1/s1
InChIKeyInChI1.03 LDXSPHJOJCEWFB-MAFUWASYSA-N

Related Resource References

Resource NameReference
PubChem 146430366