CIP

INOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE

Created:1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count7
Bond Count29
Aromatic Bond Count0
2D diagram of CIP

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Chemical Component Summary

NameINOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)(1R,2R,3S,4R,5S,6R,8R)-8-hydroxy-8-oxo-9-oxa-8$l^{5}-phosphabicyclo[4.3.0]nonane-2,3,4,5-tetrol
FormulaC7 H13 O7 P
Molecular Weight240.148
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P1(OC2C(C1)C(O)C(O)C(O)C2O)O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](O)[CH]2O[P](O)(=O)C[CH]2[CH]1O
SMILESOpenEye OEToolkits1.5.0C1C2C(C(C(C(C2OP1(=O)O)O)O)O)O
Canonical SMILESCACTVS3.341 O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[P@@](O)(=O)C[C@@H]2[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O
InChIInChI1.03 InChI=1S/C7H13O7P/c8-3-2-1-15(12,13)14-7(2)6(11)5(10)4(3)9/h2-11H,1H2,(H,12,13)/t2-,3+,4-,5+,6-,7-/m1/s1
InChIKeyInChI1.03 HSPMBPCIFXNUBY-YXVPSNDASA-N

Related Resource References

Resource NameReference
PubChem 445090