45489773
  Mrv0541 07091216292D          

 19 18  0  0  1  0            999 V2000
    3.5220   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8075    0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2365    0.2063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8075    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650   -0.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795    0.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3190    1.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.5428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2960    1.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.7178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795    1.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  6  0  0  0
  1 17  1  0  0  0  0
  6  2  1  6  0  0  0
  2 18  1  0  0  0  0
  7  3  1  1  0  0  0
  3 19  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
> <DATABASE_ID>
M2MDB001584

> <DATABASE_NAME>
M2MDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H10O4/c1-3(7)5(9)4(8)2-6/h2-5,7-9H,1H3/t3-,4+,5-/m1/s1

> <INCHI_KEY>
WDRISBUVHBMJEF-MROZADKFSA-N

> <FORMULA>
C5H10O4

> <MOLECULAR_WEIGHT>
134.1305

> <EXACT_MASS>
134.057908808

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
12.530233860172126

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4R)-2,3,4-trihydroxypentanal

> <ALOGPS_LOGP>
-1.74

> <JCHEM_LOGP>
-1.8911156543333332

> <ALOGPS_LOGS>
0.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.194042725332771

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.101347856550953

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0539920576398973

> <JCHEM_POLAR_SURFACE_AREA>
77.75999999999999

> <JCHEM_REFRACTIVITY>
29.839399999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.75e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5'-deoxyribose

> <JCHEM_VEBER_RULE>
0

> <MET_ID>
ECMDB21175

> <GENERIC_NAME>
5'-Deoxyribose

$$$$