Mrv0541 02241200522D          

 53 56  0  0  1  0            999 V2000
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   16.8157   -8.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8142   -5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.5316   -9.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8171   -7.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1012   -5.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.3867   -6.7375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2447   -5.9125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.1012   -7.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2447   -6.7375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9591   -7.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.1026   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6736   -6.7375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.9591   -5.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8171   -7.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.1026   -5.9125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9577   -5.9125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8171   -5.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2432   -5.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.5316   -6.7375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.1012   -7.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5288   -5.9125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5288   -6.7375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2432   -7.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9591   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8171   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.5316   -8.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.2460   -7.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
DB08818

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18?,19?,20+,21+,22+,25-,26+,27-,28-/m1/s1

> <INCHI_KEY>
KIUKXJAPPMFGSW-MNSSHETKSA-N

> <FORMULA>
C28H44N2O23

> <MOLECULAR_WEIGHT>
776.6486

> <EXACT_MASS>
776.233485724

> <JCHEM_ACCEPTOR_COUNT>
23

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-1.9998636522478956

> <JCHEM_AVERAGE_POLARIZABILITY>
71.14244566716306

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
14

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4R,5R,6R)-3-{[(2S,3R,5S,6R)-4-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
-1.82

> <JCHEM_LOGP>
-8.180567466333333

> <ALOGPS_LOGS>
-1.22

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
-2

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.4811016614643866

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.8739305226331164

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9487263337750194

> <JCHEM_POLAR_SURFACE_AREA>
399.7099999999999

> <JCHEM_REFRACTIVITY>
155.10069999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.66e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB08818

> <DRUG_GROUPS>
approved; vet_approved

> <GENERIC_NAME>
Hyaluronic acid

> <SYNONYMS>
Hyaluronan; Hyaluronate

> <PRODUCTS>
ACTS38 BoswelliaGel; ACTS38 BoswelliaGel (100ml); Acnepatch; Acropass Trouble Cure; Anti-Aging Serum; Ascorbyl Palmitate 2% / Hyaluronic Acid Sodium Salt 0.2% / Niacinamide 5% / Tretinoin 0.025%; C-eye Day; C-eye Night; Calcipotriene 0.005% / Diclofenac Sodium 3% / Hyaluronic Acid Sodium Salt 2% / Niacinamide 2%; Centella Face Sunscreen; Clapiel Hyalon Serum; Cluederm Aqua Solution Rejuve Plus; Collagen Film; Cotta; Cream; Curestin; Curithys; Dark Spot Removal Patch; Dark Spot Remover; Deepair Micro Intensive Magic; Derma Anti-Wrinkles; Derma Hand Repair; Derma Instant Youth; Derma Under Eye; Dr.plinus Fillincell Multi; E- Repair; ELDEEN AGE TWENTY ONE MifitPatch and Serum; Elcosys; Elcure Ato; Eldeen Age Twenty One Micro Therapy Program; Emulsion; Essence; Eye Gel; Facial Sunscreen; Fluocinonide 0.05% / Hyaluronic Acid Sodium Salt 0.5% / Niacinamide 4%; Fs12; Funees; Gel; Gengicure; Ginsamin Beauty; HOYGI Coffee Extract Eye Cream; HOYGI Retinol Eye Stick; HYLASE Wound; Hair Color Wax; Haruto Beauty Microneedle Acne Pimplepatch; HyGel; Hyalu B5 Serum; Hyaluron 3s Serum; Hyaluronic Acid; Hyaluronic Acid 60mg and Lidocaine 2% PF; Hyaluronic Acid Gel; Hyaluronic Acid Micro; Hyaluronic Acid Sodium Salt 0.5% / Hydroquinone 4% / Tretinoin 0.05%; Hyaluronic Acid Sodium Salt 0.5% / Niacinamide 4% / Tretinoin 0.025%; Hyaluronic Acid Sodium Salt 0.5% / Niacinamide 4% / Tretinoin 0.05%; Hyaluronic Acid Sodium Salt 0.5% / Niacinamide 4% / Tretinoin 0.1%; Hyaluronic Acid Sodium Salt 0.5% / Tazarotene 0.05%; Hyaluronic Acid Sodium Salt 0.5% / Tazarotene 0.1%; Hyaluronic Acid Sodium Salt 1% / Hydroquinone 6%; Hyaluronic Acid Sodium Salt 1% / Niacinamide 4% / Tacrolimus 0.1%; Hyaluronic Acid Sodium Salt 1% / Tacrolimus 0.1% / Urea 20%; Hyaluronic Acid Sodium Salt 2% / Mometasone Furoate 0.1% / Niacinamide 4%; Hylinate; Im Fill; Intomedi First Ampoule Peptide; Kaewoon for Men; Kaewoon for Women; Lbio Block Spf50; Le-Blen EGF Serum; Le-Blen FGF Serum; Le-Blen Nano Collagen Peptide Serum; Le-Blen Vitamin C Serum; Liquid; Lubricant Eye Drops; Maxclinic Hyaluronic Meso Change Roller; Miracle Aqua Peeling; Miracle Laser Mask; Moisture Cushion; Morisu; OUHOE Retinol Collagen Complex Day Night Cream; Oil; PRO PH Filler; Pearsys; Personal Lubricant; PokePoke Patch; Ramosu Hyaluronic Acid Solution 100; Retinol Glow Serum; Retinol Skin Moisturizing; Retinol eye Cream; Sleeping Mask; The Skin House Hyaluronic 6000 Ampoule; Tinted Moisturizer; Ultra Protection Ultra Long-UVA; W.skin Hyaluronic Toner; WELLAGE Hyaluronic Acid Micro Needle; Wellage Family Mask Large; Wellage Family Mask Small; XR Cellular Magic; bdr Bio cell mask; bdr Laser Effect Peptide Complex Face Mask; bdr Stretch lift mask

> <INTERNATIONAL_BRANDS>
AMO Vitrax; AMVISIC Plus; Cystistar; Euflexxa; Hyalart; Hyalgan; Hylo-Comod; Legend; Monovisc; Recosyn; Synvisc; Viscure; Yardel

> <SALTS>
Hyaluronate sodium; Potassium hyaluronate; Sodium hyaluronate

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