Mrv1652305221917262D          

 10  9  0  0  0  0            999 V2000
 9998.9477 9999.1697    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.2331 9998.7576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.5183 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8035 9998.7576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2331 9997.9323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6622 9998.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3797 9999.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0932 9998.7576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6622 9997.9323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9477 9999.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  1  0  0  0
  2  3  1  0  0  0  0
  2  5  1  6  0  0  0
  3  4  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB000159

> <DATABASE_NAME>
M2MDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1

> <INCHI_KEY>
ZAQJHHRNXZUBTE-NQXXGFSBSA-N

> <FORMULA>
C5H10O5

> <MOLECULAR_WEIGHT>
150.1299

> <EXACT_MASS>
150.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
13.47344240400903

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one

> <ALOGPS_LOGP>
-2.16

> <JCHEM_LOGP>
-2.63669695

> <ALOGPS_LOGS>
0.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.995534588386644

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.569923731220491

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9797457089641277

> <JCHEM_POLAR_SURFACE_AREA>
97.99000000000001

> <JCHEM_REFRACTIVITY>
31.5993

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.78e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-ribulose

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB00621

> <GENERIC_NAME>
D-Ribulose

$$$$