1.0 2010-04-08 22:14:08 UTC 2019-11-26 03:17:07 UTC FDB019112 2-(Arabinosylamino)-3-(glucosylamino)propanenitrile Constituent of the seeds of Lathyrus sativus (chickling pea). 2-(Arabinosylamino)-3-(glucosylamino)propanenitrile is found in pulses. 2-(Arabinosylamino)-3-(glucosylamino)propanenitrile C14H25N3O9 379.363 379.159079413 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}-2-[(3,4,5-trihydroxyoxan-2-yl)amino]propanenitrile 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}-2-[(3,4,5-trihydroxyoxan-2-yl)amino]propanenitrile 26401-22-9 OCC1OC(NCC(NC2OCC(O)C(O)C2O)C#N)C(O)C(O)C1O InChI=1S/C14H25N3O9/c15-1-5(17-14-11(23)8(20)6(19)4-25-14)2-16-13-12(24)10(22)9(21)7(3-18)26-13/h5-14,16-24H,2-4H2 BTGYSUHNSKOEKC-UHFFFAOYSA-N belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group. Cyanogenic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Dialkylamines Glycosylamines Hemiaminals Hydrocarbon derivatives Monosaccharides Nitriles Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Amine Carbonitrile Cyanogenic glycoside Hemiaminal Hydrocarbon derivative Monosaccharide N-glycosyl compound Nitrile Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine logp -2.16 ALOGPS logs -0.89 ALOGPS solubility 4.89e+01 g/l ALOGPS logp -5 ChemAxon pka_strongest_acidic 12.18 ChemAxon pka_strongest_basic 4.54 ChemAxon iupac 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}-2-[(3,4,5-trihydroxyoxan-2-yl)amino]propanenitrile ChemAxon average_mass 379.363 ChemAxon mono_mass 379.159079413 ChemAxon smiles OCC1OC(NCC(NC2OCC(O)C(O)C2O)C#N)C(O)C(O)C1O ChemAxon formula C14H25N3O9 ChemAxon inchi InChI=1S/C14H25N3O9/c15-1-5(17-14-11(23)8(20)6(19)4-25-14)2-16-13-12(24)10(22)9(21)7(3-18)26-13/h5-14,16-24H,2-4H2 ChemAxon inchikey BTGYSUHNSKOEKC-UHFFFAOYSA-N ChemAxon polar_surface_area 207.92 ChemAxon refractivity 81.59 ChemAxon polarizability 36 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7562 Specdb::MsMs 7563 Specdb::MsMs 7564 Specdb::MsMs 14234 Specdb::MsMs 14235 Specdb::MsMs 14236 Specdb::MsMs 2322301 Specdb::MsMs 2322302 Specdb::MsMs 2322303 Specdb::MsMs 2615850 Specdb::MsMs 2615851 Specdb::MsMs 2615852 Specdb::CMs 23870 Specdb::CMs 46439 Specdb::CMs 150130 Specdb::CMs 151036 Specdb::CMs 151038 Specdb::CMs 151040 Specdb::CMs 151041 Specdb::CMs 151044 Specdb::CMs 151046 Specdb::CMs 151047 Specdb::CMs 151050 Specdb::CMs 151052 Specdb::CMs 151054 Specdb::CMs 151056 Specdb::CMs 151059 Specdb::CMs 151061 Specdb::CMs 151062 Specdb::CMs 151065 Specdb::CMs 151067 Specdb::CMs 151069 Specdb::CMs 151071 Specdb::CMs 151073 Specdb::CMs 151075 Specdb::CMs 151077 Specdb::CMs 151079 Specdb::NmrOneD 33522 Specdb::NmrOneD 33523 Specdb::NmrOneD 33524 Specdb::NmrOneD 33525 Specdb::NmrOneD 33526 Specdb::NmrOneD 33527 Specdb::NmrOneD 33528 Specdb::NmrOneD 33529 Specdb::NmrOneD 33530 Specdb::NmrOneD 33531 Specdb::NmrOneD 33532 Specdb::NmrOneD 33533 Specdb::NmrOneD 33534 Specdb::NmrOneD 33535 Specdb::NmrOneD 33536 Specdb::NmrOneD 33537 Specdb::NmrOneD 33538 Specdb::NmrOneD 33539 Specdb::NmrOneD 33540 Specdb::NmrOneD 33541 HMDB39505 #<Reference:0x000055ce334dd620> Pulses Unknown generic