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Chemistry

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Also known as:
Molecular Formula
C70H97N5O71S5-10
Molecular Weight
2304.8  g/mol
InChI Key
PNOCSDIJELBTOO-BHQNPOKRSA-D

Chondroitin Sulfate Sodium
1 2D Structure

Chondroitin Sulfate Sodium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
2.1.2 InChI
InChI=1S/C70H107N5O71S5/c1-11(81)71-21-42(37(142-147(108,109)110)16(6-76)123-61(21)107)128-67-33(93)28(88)47(52(138-67)57(99)100)133-63-23(73-13(3)83)44(39(18(8-78)125-63)144-149(114,115)116)130-69-35(95)30(90)49(54(140-69)59(103)104)135-65-25(75-15(5)85)46(41(20(10-80)127-65)146-151(120,121)122)132-70-36(96)31(91)50(55(141-70)60(105)106)136-64-24(74-14(4)84)45(40(19(9-79)126-64)145-150(117,118)119)131-68-34(94)29(89)48(53(139-68)58(101)102)134-62-22(72-12(2)82)43(38(17(7-77)124-62)143-148(111,112)113)129-66-32(92)26(86)27(87)51(137-66)56(97)98/h16-55,61-70,76-80,86-96,107H,6-10H2,1-5H3,(H,71,81)(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,108,109,110)(H,111,112,113)(H,114,115,116)(H,117,118,119)(H,120,121,122)/p-10/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,61-,62+,63+,64+,65+,66-,67-,68-,69-,70-/m1/s1
2.1.3 InChI Key
PNOCSDIJELBTOO-BHQNPOKRSA-D
2.1.4 Canonical SMILES
CC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])OC3C(C(C(C(O3)CO)OS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC5C(C(C(C(O5)CO)OS(=O)(=O)[O-])OC6C(C(C(C(O6)C(=O)[O-])OC7C(C(C(C(O7)CO)OS(=O)(=O)[O-])OC8C(C(C(C(O8)C(=O)[O-])OC9C(C(C(C(O9)CO)OS(=O)(=O)[O-])OC1C(C(C(C(O1)C(=O)[O-])O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O
2.1.5 Isomeric SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)OS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)OS(=O)(=O)[O-])O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)OS(=O)(=O)[O-])O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)[O-])O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)OS(=O)(=O)[O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O)NC(=O)C)O)O
2.2 Create Date
2011-11-09
3 Chemical and Physical Properties
Molecular Weight 2304.8 g/mol
Molecular Formula C70H97N5O71S5-10
XLogP3-19.7
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count71
Rotatable Bond Count33
Exact Mass2303.2736920 g/mol
Monoisotopic Mass2303.2736920 g/mol
Topological Polar Surface Area1240 Ų
Heavy Atom Count151
Formal Charge-10
Complexity5220
Isotope Atom Count0
Defined Atom Stereocenter Count50
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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IMPEX","customerCountry":"INDIA","quantity":"1000.00","actualQuantity":"1000","unit":"KGS","unitRateFc":"38","totalValueFC":"38498.2","currency":"USD","unitRateINR":"3226.2","date":"11-Sep-2024","totalValueINR":"3226200","totalValueInUsd":"38498.2","indian_port":"Hyderabad Air","hs_no":"29339990","bill_no":"5545623","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"QINGDAO","supplierAddress":"GOLDEN PLAZA,20 HONGKONG MIDDLE ROAD,QINGDAO, CHINA CN","customerAddress":"N\/A"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q4","strtotime":1728066600,"product":"CHONDROITIN SULPHATE SODIUM USP","address":"NO.7-2-C8 & C8\/2 G V CHAMBERS,SANA","city":"HYDERABAD,TELANGANA","supplier":"JIAXING HENGJIE BIOPHARMACEUTICAL CO LTD","supplierCountry":"CHINA","foreign_port":"SHANGHAI","customer":"EVERTOGEN LIFE SCIENCES ","customerCountry":"INDIA","quantity":"600.00","actualQuantity":"600","unit":"KGS","unitRateFc":"47.5","totalValueFC":"28779.3","currency":"USD","unitRateINR":"4030.4","date":"05-Oct-2024","totalValueINR":"2418225","totalValueInUsd":"28779.3","indian_port":"SEZ\/Mahaboobnagar","hs_no":"29420090","bill_no":"5957338","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI","supplierAddress":"NO.20 TONGYI ROAD XINFENG INDUSTRIAL PARK, JIAXING SDNF China","customerAddress":"NO.7-2-C8 & C8\/2 G V CHAMBERS,SANA"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q4","strtotime":1730917800,"product":"CHONDROITIN SULPHATE SODIUM (80 DRUMS EACH DRUM 25 KGS)","address":"PLOT NO 4 GROUND FLOOR KH NO-1050","city":"NEW DELHI,DELHI","supplier":"JIAXING HENGJIE BIOPHARMACEUTICAL C","supplierCountry":"CHINA","foreign_port":"SHANGHAI","customer":"HERBOSYNTH INDIA","customerCountry":"INDIA","quantity":"2000.00","actualQuantity":"2000","unit":"KGS","unitRateFc":"23","totalValueFC":"46306.2","currency":"USD","unitRateINR":"1953.9","date":"07-Nov-2024","totalValueINR":"3907700","totalValueInUsd":"46306.2","indian_port":"JNPT","hs_no":"29309099","bill_no":"6541856","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI","supplierAddress":"O.,LTD. NO.20 TONGYI ROAD, XINFENG INDUSTRIAL PARK, JIAXING ,ZHEJIANG SDNF CHINA","customerAddress":"PLOT NO 4 GROUND FLOOR KH NO-1050"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q4","strtotime":1732818600,"product":"CHONDROITIN SULFATE SODIUM (60 DRUMS EACH DRUM 25 KGS)","address":"PLOT NO 4 GROUND FLOOR KH NO-1050","city":"NEW DELHI,DELHI","supplier":"JIAXING HENGJIE BIOPHARMACEUTICAL C","supplierCountry":"CHINA","foreign_port":"SHANGHAI","customer":"HERBOSYNTH INDIA","customerCountry":"INDIA","quantity":"1500.00","actualQuantity":"1500","unit":"KGS","unitRateFc":"29","totalValueFC":"43995.8","currency":"USD","unitRateINR":"2475.2","date":"29-Nov-2024","totalValueINR":"3712725","totalValueInUsd":"43995.8","indian_port":"JNPT","hs_no":"29309099","bill_no":"6953872","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"SHANGHAI","supplierAddress":"O.,LTD. NO.20 TONGYI ROAD, XINFENG INDUSTRIAL PARK, JIAXING ,ZHEJIANG SDNF CHINA","customerAddress":"PLOT NO 4 GROUND FLOOR KH NO-1050"}]
02-Jan-2021
29-Nov-2024
KGS
overview
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Average Price (USD/KGS)

Number of Transactions

Total Quantity (KGS)

Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

Importing Country Total Quantity
(KGS)
Average Price
(USD/KGS)
Number of Transactions

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