1.0 2016-09-30 23:05:05 UTC 2020-04-22 15:12:26 UTC BMDB0003536 BMDB03536 dIDP 2'-Deoxyinosine 5'-diphosphate 2'-Deoxyinosine-5'-diphosphate 2'-Deoxyinosine 5'-diphosphoric acid 2'-Deoxyinosine-5'-diphosphoric acid DIDP C10H14N4O10P2 412.1865 412.018515712 {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid 2'-deoxyinosine 26575-15-5 O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 BKUSIKGSPSFQAC-RRKCRQDMSA-N belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside diphosphates. These are purine nucleotides with diphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine deoxyribonucleotides Purine 2'-deoxyribonucleoside diphosphates 6-oxopurines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hypoxanthines Monoalkyl phosphates N-substituted imidazoles Organic oxides Organic pyrophosphates Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pyrimidones Secondary alcohols Tetrahydrofurans Vinylogous amides 6-oxopurine Alcohol Alkyl phosphate Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole Imidazopyrimidine Monoalkyl phosphate N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phosphoric acid ester Purine Purine 2'-deoxyribonucleoside diphosphate Pyrimidine Pyrimidone Secondary alcohol Tetrahydrofuran Vinylogous amide Aromatic heteropolycyclic compounds deoxyinosine phosphate purine 2'-deoxyribonucleoside 5'-diphosphate Liquid melting_point -45.6 °C water_solubility 0.00028 mg/mL at 25 °C logp 9.444 logp -1.00 ALOGPS logs -2.06 ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 1.73 ChemAxon pka_strongest_basic 2.67 ChemAxon iupac {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid ChemAxon average_mass 412.1865 ChemAxon mono_mass 412.018515712 ChemAxon smiles O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O ChemAxon formula C10H14N4O10P2 ChemAxon inchi InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 ChemAxon inchikey BKUSIKGSPSFQAC-RRKCRQDMSA-N ChemAxon polar_surface_area 202.03 ChemAxon refractivity 81.13 ChemAxon polarizability 33.01 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 11 ChemAxon donor_count 5 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 23723 Specdb::MsMs 23724 Specdb::MsMs 23725 Specdb::MsMs 30521 Specdb::MsMs 30522 Specdb::MsMs 30523 Specdb::MsMs 2809049 Specdb::MsMs 2809050 Specdb::MsMs 2809051 Specdb::MsMs 2900586 Specdb::MsMs 2900587 Specdb::MsMs 2900588 Specdb::CMs 17278 Specdb::CMs 38621 Specdb::CMs 132116 Specdb::CMs 139850 Specdb::CMs 153494 Specdb::CMs 153496 Specdb::CMs 153498 Specdb::CMs 153500 Specdb::CMs 153502 Specdb::CMs 279926 Specdb::NmrOneD 28142 Specdb::NmrOneD 28143 Specdb::NmrOneD 28144 Specdb::NmrOneD 28145 Specdb::NmrOneD 28146 Specdb::NmrOneD 28147 Specdb::NmrOneD 28148 Specdb::NmrOneD 28149 Specdb::NmrOneD 28150 Specdb::NmrOneD 28151 Specdb::NmrOneD 28152 Specdb::NmrOneD 28153 Specdb::NmrOneD 28154 Specdb::NmrOneD 28155 Specdb::NmrOneD 28156 Specdb::NmrOneD 28157 Specdb::NmrOneD 28158 Specdb::NmrOneD 28159 Specdb::NmrOneD 28160 Specdb::NmrOneD 28161 C01344 FDB023189 388586 439488 28823 37395 DID