1.0 2010-04-08 22:09:15 UTC 2015-07-20 22:34:46 UTC FDB010682 2-Methyl-1,4-naphthalenediol bis(dihydrogen phosphate) Prothrombogenic vitamin 1,4-Naphthalenediol, 2-methyl-, bis(dihydrogen ate) 1,4-Naphthalenediol, 2-methyl-, bis(dihydrogen phosphate) 131-13-5 (tetra-hydrochloride salt) Menadiol diate Menadiol diic acid Menadiol diphosphate C11H12O8P2 334.1557 334.000740384 {[2-methyl-4-(phosphonooxy)naphthalen-1-yl]oxy}phosphonic acid [2-methyl-4-(phosphonooxy)naphthalen-1-yl]oxyphosphonic acid 84-98-0 CC1=C(OP(O)(O)=O)C2=CC=CC=C2C(OP(O)(O)=O)=C1 InChI=1S/C11H12O8P2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17) JTNHOVZOOVVGHI-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Naphthalenes Organic compounds Benzenoids Naphthalenes Aromatic homopolycyclic compounds Aryl phosphomonoesters Hydrocarbon derivatives Organic oxides Organooxygen compounds Aromatic homopolycyclic compound Aryl phosphate Aryl phosphomonoester Hydrocarbon derivative Naphthalene Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester logp 0.84 ALOGPS logs -2.59 ALOGPS solubility 8.54e-01 g/l ALOGPS logp 1.56 ChemAxon pka_strongest_acidic 1.47 ChemAxon iupac {[2-methyl-4-(phosphonooxy)naphthalen-1-yl]oxy}phosphonic acid ChemAxon average_mass 334.1557 ChemAxon mono_mass 334.000740384 ChemAxon smiles CC1=C(OP(O)(O)=O)C2=CC=CC=C2C(OP(O)(O)=O)=C1 ChemAxon formula C11H12O8P2 ChemAxon inchi InChI=1S/C11H12O8P2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17) ChemAxon inchikey JTNHOVZOOVVGHI-UHFFFAOYSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 73.26 ChemAxon polarizability 27.43 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12990 Specdb::CMs 137514 Specdb::CMs 145248 Specdb::MsMs 60978 Specdb::MsMs 60979 Specdb::MsMs 60980 Specdb::MsMs 117429 Specdb::MsMs 117430 Specdb::MsMs 117431 Specdb::MsMs 2446126 Specdb::MsMs 2446127 Specdb::MsMs 2446128 Specdb::MsMs 2515842 Specdb::MsMs 2515843 Specdb::MsMs 2515844 HMDB32721 #<Reference:0x000055ce300a6b18>