1.0 2010-04-08 22:09:20 UTC 2015-07-20 22:35:59 UTC FDB010861 (E)-Ribosylzeatin glucoside Cytokinin, widely distributed in plants [DFC] (E)-Ribosylzeatin glucoside trans-Zeatin riboside-O-glucoside C21H31N5O10 513.4983 513.207092237 2-{[(2E)-4-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[(2E)-4-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 62512-97-4 C\C(COC1OC(CO)C(O)C(O)C1O)=C/CNC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC=N1 InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+ MVMBTNNVZQRZQT-XNWCZRBMSA-N belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. 2-naphthalene sulfonates Organic compounds Benzenoids Naphthalenes Naphthalene sulfonic acids and derivatives Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-sulfo,2-unsubstituted aromatic compounds 2-naphthalene sulfonic acids and derivatives Alkyl aryl ethers Anisoles Azo compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Hydrocarbon derivatives Methoxyanilines Methoxybenzenes Naphthols and derivatives Organic oxides Organopnictogen compounds Organosulfonic acids Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Sulfonyls Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-sulfo,2-unsubstituted aromatic compound 2-naphthalene sulfonate 2-naphthalene sulfonic acid or derivatives 2-naphthol Alkyl aryl ether Anisole Aromatic homopolycyclic compound Arylsulfonic acid or derivatives Azo compound Benzenesulfonate Benzenesulfonyl group Ether Hydrocarbon derivative Methoxyaniline Methoxybenzene Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Phenol ether Phenoxy compound Propargyl-type 1,3-dipolar organic compound Sulfonyl Toluene logp -1.33 ALOGPS logs -1.91 ALOGPS solubility 6.29e+00 g/l ALOGPS logp -3.5 ChemAxon pka_strongest_acidic 12.02 ChemAxon pka_strongest_basic 4.85 ChemAxon iupac 2-{[(2E)-4-({9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 513.4983 ChemAxon mono_mass 513.207092237 ChemAxon smiles C\C(COC1OC(CO)C(O)C(O)C1O)=C/CNC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC=N1 ChemAxon formula C21H31N5O10 ChemAxon inchi InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+ ChemAxon inchikey MVMBTNNVZQRZQT-XNWCZRBMSA-N ChemAxon polar_surface_area 224.93 ChemAxon refractivity 122 ChemAxon polarizability 51.83 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19981 Specdb::CMs 43006 Specdb::MsMs 68655 Specdb::MsMs 68656 Specdb::MsMs 68657 Specdb::MsMs 126735 Specdb::MsMs 126736 Specdb::MsMs 126737 Specdb::MsMs 2343473 Specdb::MsMs 2343474 Specdb::MsMs 2343475 Specdb::MsMs 2595100 Specdb::MsMs 2595101 Specdb::MsMs 2595102 Specdb::NmrOneD 116438 Specdb::NmrOneD 116439 Specdb::NmrOneD 116440 Specdb::NmrOneD 116441 Specdb::NmrOneD 116442 Specdb::NmrOneD 116443 Specdb::NmrOneD 116444 Specdb::NmrOneD 116445 Specdb::NmrOneD 116446 Specdb::NmrOneD 116447 Specdb::NmrOneD 116448 Specdb::NmrOneD 116449 Specdb::NmrOneD 116450 Specdb::NmrOneD 116451 Specdb::NmrOneD 116452 Specdb::NmrOneD 116453 Specdb::NmrOneD 116454 Specdb::NmrOneD 116455 Specdb::NmrOneD 116456 Specdb::NmrOneD 116457 HMDB32880 #<Reference:0x000055ce3202b920>