Mrv1909 07272214542D          

 11 10  0  0  0  0            999 V2000
    0.0040    0.2353    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6873   -0.2311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6914   -0.2478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0246   -0.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414    0.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998   -1.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6956   -1.0727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0246   -0.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3295    1.0727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  2  1  0  0  0  0
  1  6  1  1  0  0  0
  2  7  1  1  0  0  0
  3  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB16873

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m0/s1

> <INCHI_KEY>
PYMYPHUHKUWMLA-VAYJURFESA-N

> <FORMULA>
C5H10O5

> <MOLECULAR_WEIGHT>
150.13

> <EXACT_MASS>
150.052823422

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-5.155879695788975e-06

> <JCHEM_AVERAGE_POLARIZABILITY>
13.549270347465825

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S)-2,3,4,5-tetrahydroxypentanal

> <ALOGPS_LOGP>
-2.28

> <JCHEM_LOGP>
-2.9380256209999995

> <ALOGPS_LOGS>
0.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.41876126094162

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.337668376209535

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9744929158468105

> <JCHEM_POLAR_SURFACE_AREA>
97.99000000000001

> <JCHEM_REFRACTIVITY>
31.383099999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.80e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,10S)-8-oxatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-2(7),3,5,12,14,16-hexaene-5,6,10,14,15-pentol

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB16873

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
L-Arabinose

> <SYNONYMS>
Arabinose, L-; Pectinose

$$$$