Mrv0541 02241203562D          

 10 10  0  0  1  0            999 V2000
   11.9418   -6.3449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1958   -7.1298    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6092   -5.8596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -6.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0226   -7.1298    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9759   -7.9224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2766   -6.3449    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4288   -6.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2273   -7.9224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0653   -6.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  6  0  0  0
  7 10  1  4  0  0  0
  5  7  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0012325

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5?/m0/s1

> <INCHI_KEY>
HMFHBZSHGGEWLO-HWQSCIPKSA-N

> <FORMULA>
C5H10O5

> <MOLECULAR_WEIGHT>
150.1299

> <EXACT_MASS>
150.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
13.508750288892614

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4R,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol

> <ALOGPS_LOGP>
-2.65

> <JCHEM_LOGP>
-2.302204276

> <ALOGPS_LOGS>
0.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.899514700313038

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.30569577774193

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9811390578102284

> <JCHEM_POLAR_SURFACE_AREA>
90.15

> <JCHEM_REFRACTIVITY>
29.96089999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.07e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-arabinofuranose

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0012325

> <GENERIC_NAME>
Arabinofuranose

$$$$