Mrv1652309042000402D          

 11 10  0  0  1  0            999 V2000
    8.7751   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0582   -3.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446   -4.3490    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6310   -3.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446   -5.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9142   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6310   -3.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -3.9365    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2040   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -3.1115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -4.7615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  1  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB002039

> <DATABASE_NAME>
M2MDB

> <SMILES>
O[C@H](COP(O)(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

> <INCHI_KEY>
OSJPPGNTCRNQQC-UWTATZPHSA-N

> <FORMULA>
C3H7O7P

> <MOLECULAR_WEIGHT>
186.0572

> <EXACT_MASS>
185.99293909

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
13.540840192774787

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-hydroxy-3-(phosphonooxy)propanoic acid

> <ALOGPS_LOGP>
-2.26

> <JCHEM_LOGP>
-1.642305516

> <ALOGPS_LOGS>
-0.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.4930984077105847

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3022122249394057

> <JCHEM_PKA_STRONGEST_BASIC>
-4.151933713507117

> <JCHEM_POLAR_SURFACE_AREA>
124.29

> <JCHEM_REFRACTIVITY>
31.256400000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.10e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-glycerate 3-phosphate

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB21645

> <GENERIC_NAME>
3-Phospho-D-glycerate

$$$$