ChEBI
  Mrv1652305271900182D          

 10  9  0  0  1  0            999 V2000
    6.9355   -3.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2290   -2.7900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5066   -3.1953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8000   -2.7695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0776   -3.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6580   -2.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2340   -1.9652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5016   -4.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8050   -1.9446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0726   -3.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  2  1  1  0  0  0  0
  2  7  1  1  0  0  0
  3  2  1  0  0  0  0
  3  8  1  1  0  0  0
  4  3  1  0  0  0  0
  4  9  1  6  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
> <DATABASE_ID>
YMDB00591

> <DATABASE_NAME>
YMDB

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1

> <INCHI_KEY>
HEBKCHPVOIAQTA-IMJSIDKUSA-N

> <FORMULA>
C5H12O5

> <MOLECULAR_WEIGHT>
152.1458

> <EXACT_MASS>
152.068473494

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
14.275101100378855

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,4S)-pentane-1,2,3,4,5-pentol

> <ALOGPS_LOGP>
-2.53

> <JCHEM_LOGP>
-3.099683906666666

> <ALOGPS_LOGS>
0.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.742189661908146

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.760078510562963

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9742034412471314

> <JCHEM_POLAR_SURFACE_AREA>
101.15

> <JCHEM_REFRACTIVITY>
32.44109999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.64e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
arabinitol

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB00591

> <GENERIC_NAME>
L-arabinitol

> <SYNONYMS>
1,2,3,4,5-Pentahydroxypentane; Adonite Adonitol; Arabinitol; Arabinitol, L-; L-(-)-Arabinitol; L-(-)-Arabitol; L-(+)-Arabitol; L-arabinitol; l-arabinol; l-arabitol; l-lyxitol; L(-)-Arabitol; pentitol

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