1.0 2016-09-30 22:41:25 UTC 2020-04-22 15:06:46 UTC BMDB0001125 BMDB01125 Inositol cyclic phosphate D-Myo-inositol 1,2-cyclic phosphate Myo-inositol 1,2-cyclic phosphate 1D-Myo-inositol 1,2-cyclic phosphate D-Myo-inositol 1,2-cyclic phosphoric acid Myo-inositol 1,2-cyclic phosphoric acid 1D-Myo-inositol 1,2-cyclic phosphoric acid Inositol cyclic phosphoric acid Inositol 1,2-cyclic phosphate Inositol cyclic-1,2-monophosphate Inositol cyclic phosphate, (D)-isomer Myoinositol 1,2-cyclic phosphate Inositol cyclic phosphate C6H11O8P 242.1205 242.01915384 (3aR,4R,5S,6S,7R,7aS)-2,4,5,6,7-pentahydroxy-hexahydro-2H-1,3,2λ⁵-benzodioxaphosphol-2-one inositol 1,2-cyclic phosphate 43119-57-9 O[C@H]1[C@H]2OP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)/t1-,2-,3+,4+,5-,6+/m0/s1 SXHMVNXROAUURW-FTYOSCRSSA-N belongs to the class of organic compounds known as organic phosphoric acids and derivatives. These are organic compounds containing phosphoric acid or a derivative thereof. Organic compounds Organic acids and derivatives Organic phosphoric acids and derivatives Organic phosphoric acids and derivatives Cyclitols and derivatives Dioxaphospholanes Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols 1,3_dioxaphospholane Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Cyclitol or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Secondary alcohol Aliphatic heteropolycyclic compounds myo-inositol cyclic phosphate Solid logp -1.90 ALOGPS logs -0.64 ALOGPS logp -3 ChemAxon pka_strongest_acidic 1.78 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (3aR,4R,5S,6S,7R,7aS)-2,4,5,6,7-pentahydroxy-hexahydro-2H-1,3,2λ⁵-benzodioxaphosphol-2-one ChemAxon average_mass 242.1205 ChemAxon mono_mass 242.01915384 ChemAxon smiles O[C@H]1[C@H]2OP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C6H11O8P ChemAxon inchi InChI=1S/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)/t1-,2-,3+,4+,5-,6+/m0/s1 ChemAxon inchikey SXHMVNXROAUURW-FTYOSCRSSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 42.87 ChemAxon polarizability 19.03 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 16975 Specdb::CMs 37936 Specdb::CMs 137442 Specdb::CMs 145176 Specdb::MsMs 303541 Specdb::MsMs 303542 Specdb::MsMs 303543 Specdb::MsMs 346519 Specdb::MsMs 346520 Specdb::MsMs 346521 Specdb::MsMs 2672264 Specdb::MsMs 2672265 Specdb::MsMs 2672266 Specdb::MsMs 3010362 Specdb::MsMs 3010363 Specdb::MsMs 3010364 Specdb::NmrOneD 146490 Specdb::NmrOneD 146491 Specdb::NmrOneD 146492 Specdb::NmrOneD 146493 Specdb::NmrOneD 146494 Specdb::NmrOneD 146495 Specdb::NmrOneD 146496 Specdb::NmrOneD 146497 Specdb::NmrOneD 146498 Specdb::NmrOneD 146499 Specdb::NmrOneD 146500 Specdb::NmrOneD 146501 Specdb::NmrOneD 146502 Specdb::NmrOneD 146503 Specdb::NmrOneD 146504 Specdb::NmrOneD 146505 Specdb::NmrOneD 146506 Specdb::NmrOneD 146507 Specdb::NmrOneD 146508 Specdb::NmrOneD 146509 C04299 FDB022438 109081 18426 122331 6020 Connolly T M; Wilson D B; Bross T E; Majerus P W Isolation and characterization of the inositol cyclic phosphate products of phosphoinositide cleavage by phospholipase C. Metabolism in cell-free extracts. The Journal of biological chemistry (1986), 261(1), 122-6.