Mrv1718009241811592D          

 10  9  0  0  0  0            999 V2000
   -1.4263    0.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171   -0.1988    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0027    0.2106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7119   -0.2106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1463   -0.1868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171   -1.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027    1.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7119   -1.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4318    0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1463   -0.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  1  0  0  0
  3  2  1  0  0  0  0
  3  7  1  1  0  0  0
  4  3  1  0  0  0  0
  4  8  1  1  0  0  0
  9  4  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DB11195

> <DATABASE_NAME>
drugbank

> <SMILES>
OC[C@H](O)[C@@H](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+,5+

> <INCHI_KEY>
HEBKCHPVOIAQTA-SCDXWVJYSA-N

> <FORMULA>
C5H12O5

> <MOLECULAR_WEIGHT>
152.1458

> <EXACT_MASS>
152.068473494

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
14.421768323067532

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3r,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>
32.4411

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.64e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-xylitol

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB11195

> <SECONDARY_ACCESSION_NUMBERS>
EXPT03268; DB01904

> <DRUG_GROUPS>
experimental; investigational

> <GENERIC_NAME>
Xylitol

> <SYNONYMS>
D-Xylitol; Xylitol

> <PRODUCTS>
Adea Gargle; BOP whiteningtoothpaste; CHI. JOA (Anti-inflammatory effect, antibacterial effect, stomatitis improvement, plaque removal); Claon (toothpaste); Cream; Fluor-a-day; Gel; Hoo gargle (Jasmine Flavor)(Mouthwash); Hoo gargle (Mouthwash); Hoo gargle (Rooibos Tea Flavor)(Mouthwash); Inhaler; L'ECLAT Blanc Toothpaste; L'ECLAT Imperial Toothpaste; L'ECLAT Rose Toothpaste; Lab52 Anti-Cavity Oral Care; Lab52 Anti-Sensitivity Oral Care; Lab52 Kids Oral Protection; Medisupia; Noble 1 Plus; Noble G Plus; Solid; Teeth cleaning mousse; Trident Advantage Gum; Xylifresh 100 (peppermint) - Gum 827 mg; Xylifresh 100 (spearmint) - Gum; Yumaki Original Mint Tooth

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