Untitled Document-2
  Mrv1652305271900282D          

 10 10  0  0  0  0            999 V2000
   -0.7136    0.2796    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7136   -0.5454    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0711   -0.8004    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5560   -0.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0711    0.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810   -0.1329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810   -1.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3260   -1.5850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3810    0.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2948    1.5850    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
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  2  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  1  9  1  1  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB022728

> <DATABASE_NAME>
foodb

> <SMILES>
OC[C@H]1OC(=O)[C@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4-/m1/s1

> <INCHI_KEY>
CUOKHACJLGPRHD-BXXZVTAOSA-N

> <FORMULA>
C5H8O5

> <MOLECULAR_WEIGHT>
148.114

> <EXACT_MASS>
148.037173366

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
12.798132681177856

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one

> <ALOGPS_LOGP>
-1.98

> <JCHEM_LOGP>
-2.114938244

> <ALOGPS_LOGS>
0.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.66228265576019

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.633837675631321

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9894265691123385

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
28.8163

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.47e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-ribosone

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB022728

> <GENERIC_NAME>
Ribonolactone

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