Mrv0541 05311207132D 11 10 0 0 0 0 999 V2000 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.7145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 6 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 10 7 1 0 0 0 0 10 8 2 0 0 0 0 10 9 1 0 0 0 0 3 11 1 6 0 0 0 M END > <DATABASE_ID> M2MDB001409 > <DATABASE_NAME> M2MDB > <SMILES> [H][C@](O)(CO)COP(O)(O)=O > <INCHI_IDENTIFIER> InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1 > <INCHI_KEY> AWUCVROLDVIAJX-VKHMYHEASA-N > <FORMULA> C3H9O6P > <MOLECULAR_WEIGHT> 172.0737 > <EXACT_MASS> 172.013674532 > <JCHEM_ACCEPTOR_COUNT> 5 > <JCHEM_AVERAGE_POLARIZABILITY> 13.446752984898623 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 4 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> [(2S)-2,3-dihydroxypropoxy]phosphonic acid > <ALOGPS_LOGP> -1.84 > <JCHEM_LOGP> -1.9625800539999998 > <ALOGPS_LOGS> -0.75 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> -2 > <JCHEM_PKA> 6.533552281214722 > <JCHEM_PKA_STRONGEST_ACIDIC> 1.5077547010974532 > <JCHEM_PKA_STRONGEST_BASIC> -2.968964717967575 > <JCHEM_POLAR_SURFACE_AREA> 107.22000000000001 > <JCHEM_REFRACTIVITY> 31.389 > <JCHEM_ROTATABLE_BOND_COUNT> 4 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 3.06e+01 g/l > <JCHEM_TRADITIONAL_IUPAC> glycerophosphate > <JCHEM_VEBER_RULE> 0 > <MET_ID> ECMDB20610 > <GENERIC_NAME> Sn-Glycerol-1-phosphate $$$$