GPM

(1S)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol

Created:1999-07-08
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count5
Bond Count31
Aromatic Bond Count0
2D diagram of GPM

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Chemical Component Summary

Name(1S)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol
SynonymsGLUCOPYRANOSYL-1-METHYL-PHOSPHONIC ACID; Alpha-1 phosphonomethylene-D-glucopyranose
Systematic Name (OpenEye OEToolkits)[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methylphosphonic acid
FormulaC7 H15 O8 P
Molecular Weight258.163
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)CC1OC(C(O)C(O)C1O)CO
SMILESCACTVS3.370OC[CH]1O[CH](C[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits1.7.6C(C1C(C(C(C(O1)CP(=O)(O)O)O)O)O)O
Canonical SMILESCACTVS3.370 OC[C@H]1O[C@H](C[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits1.7.6 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CP(=O)(O)O)O)O)O)O
InChIInChI1.03 InChI=1S/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1
InChIKeyInChI1.03 XRMRHVWWWWFMKR-OVHBTUCOSA-N

Related Resource References

Resource NameReference
PubChem 449554