NHV

(5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium

Created: 2008-02-20
Last modified:  2011-06-04

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Chemical Details

Formal Charge1
Atom Count42
Chiral Atom Count4
Bond Count44
Aromatic Bond Count11
2D diagram of NHV
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Chemical Component Summary

Name(5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium
Systematic Name (OpenEye OEToolkits)(5R,6R,7S,8R)-5-(hydroxymethyl)-2-(phenylazanylmethyl)-5,6,7,8-tetrahydro-1H-imidazo[2,1-f]pyridin-4-ium-6,7,8-triol
FormulaC15 H20 N3 O4
Molecular Weight306.337
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OCC2[n+]1cc(nc1C(O)C(O)C2O)CNc3ccccc3
SMILESCACTVS3.341OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]c(CNc3ccccc3)c[n+]12
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)NCc2c[n+]3c([nH]2)C(C(C(C3CO)O)O)O
Canonical SMILESCACTVS3.341 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2[nH]c(CNc3ccccc3)c[n+]12
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)NCc2c[n+]3c([nH]2)[C@H]([C@H]([C@@H]([C@H]3CO)O)O)O
InChIInChI1.03 InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/p+1/t11-,12-,13+,14+/m1/s1
InChIKeyInChI1.03 ADKWVGPRAQKVKB-MQYQWHSLSA-O

Related Resource References

Resource NameReference
PubChem 49867379