Mrv1652309121709242D          

 12 11  0  0  1  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  6  0  0  0
  4  9  1  1  0  0  0
  3 10  1  1  0  0  0
  2 11  1  6  0  0  0
  1 12  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00742

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1

> <INCHI_KEY>
FBPFZTCFMRRESA-KVTDHHQDSA-N

> <FORMULA>
C6H14O6

> <MOLECULAR_WEIGHT>
182.1718

> <EXACT_MASS>
182.07903818

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.040202393955006

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol

> <ALOGPS_LOGP>
-2.68

> <JCHEM_LOGP>
-3.7300188486666666

> <ALOGPS_LOGS>
0.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.37874915684328

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.585200956788803

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974211614825128

> <JCHEM_POLAR_SURFACE_AREA>
121.38000000000001

> <JCHEM_REFRACTIVITY>
38.40359999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.29e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mannitol

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00742

> <SECONDARY_ACCESSION_NUMBERS>
APRD01083; EXPT02246

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Mannitol

> <SYNONYMS>
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexaol; (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol; D-(-)-Mannitol; D-Mannitol; Manitol; Manna Sugar; Mannit; Mannite; Mannitol; Mannitolum

> <PRODUCTS>
ADSOL Red Cell Preservation Solution System in Plastic Container (PL 146 Plastic); Additive Solution Sodium Adenine Glucose Mannitol (sagm); Adsol Red Cell Preservation; Aridol; Aridol Bronchial Challenge Test Kit; Bronchitol; CPD/ADSOL Red Cell Preservation Solution System (PL 2209); Cpd/adsol; Curestem Cell Healer C10 Program; Curestem Cell Healer C20; Curestem Cell Healer C5 Program; Cystosol W 3% Hexitols; GD11 Rx SCM C5; IMUFLEX WB-RP Blood Bag System with Integral Whole Blood Leukocyte Reduction Filter (Removing Platelets) with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative; IMUFLEX WB-SP Blood Bag System with Integral Whole Blood Leukocyte Reduction Filter (Saving Platelets) with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) and OPTISOL (AS-5) Red Cell Preservative; Leucoflex CGP; MTL1 Leucoflex; Mannitol; Mannitol Inj 10% Abbovac; Mannitol Inj 25%; Mannitol Inj 5% Abbovac; Mannitol Injection USP; Mannitol Injection, USP; Osmitrol; Osmitrol Injection 10%; Osmitrol Injection 20%; Qr Pain; Resectisol (5% Mannitol Irrigation); Sag-M; Sag-mannitol Solution; Sorbitol Mannitol Irrigation; Sorbitol-Mannitol; TERUFLEX Blood Bag System Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL Red Cell Preservative; TERUFLEX Blood Bag System with Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative; TERUFLEX Blood Bag System with Diversion Blood Sampling Arm Anticoagulant CPD with OPTISOL Red Cell Preservative Solution for Collection of 500mL of Blood; TERUFLEX Blood Bag System with Diversion Blood Sampling Arm Anticoagulant Citrate Phosphate Dextrose (CPD) AND OPTISOL (AS-5) Red Cell Preservative; TERUFLEX Blood with Diversion Blood Sampling Arm Anticoagulant CPD with OPTISOL Red Cell Preservative for Collection of 450mL of Blood

> <INTERNATIONAL_BRANDS>
Anol; Aridol; Deltamannit; Demanitol; Diurecide; Isotol; Manicol; Manit; Manitol Mein; Maniton; Mannigen; Mannisol; Mannisol A; Mannit; Mannit-Lösung; Mannite Actipharm; Osmofundin; Osmohale; Osmosol; Osmosteril; Resectisol

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