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ScientificNameLabel
Sutherlandin
PHCD compound ID : 2403
Chemical Names :
Sutherlandin
Molecular Formula : C11H17N1O7
Molecular Weight : 275.100502
More Details :
Names & Synonyms: (Z)-3-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enenitrile , (Z)-3-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-butenenitrile , (Z)-3-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile , (Z)-3-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-but-2-enenitrile , (Z)-3-methylol-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-but-2-enenitrile
Smiles: OC[C@H]1O[C@@H](OC/C(=C\C#N)/CO)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C11H17NO7/c12-2-1-6(3-13)5-18-11-10(17)9(16)8(15)7(4-14)19-11/h1,7-11,13-17H,3-5H2/b6-1-/t7-,8-,9+,10-,11-/m1/s1
InChi Key : InChIKey=FOSRVZARVZHBSO-JVNCHOTKSA-N
PubChem ID : 6442883
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 10.488317
Hydrogen bond donor count : 5 Electric dipole moment : 5.354
XLogP : -2.698 VDW volume : 251.074802
Molecular weight : 275.100502 HOMO-LUMO gap : 9.649000
Herb list :
Refrences & Litretures:
  
268.      Journal:'Allelopathy Journal'      Year:'2009'      Volume:'24'      Page:'225'      DOI:''      Title:'Allelopathic Plants. 19. Barley (Hordeum vulgare L)'
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