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Chemistry

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Also known as: Acacccaattctgaaaatgg, Antisense oligo to hiv-1 5349-5368, 104053-06-7, Oligonucleotides
Molecular Formula
C195H245N78O114P19
Molecular Weight
6094  g/mol
InChI Key
JLCPHMBAVCMARE-UHFFFAOYSA-N

Oligonucleotide
Polymers made up of a few (2-20) nucleotides. In molecular genetics, they refer to a short sequence synthesized to match a region where a mutation is known to occur, and then used as a probe (OLIGONUCLEOTIDE PROBES). (Dorland, 28th ed)
1 2D Structure

Oligonucleotide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
2.1.2 InChI
InChI=1S/C195H245N78O114P19/c1-78-35-259(192(288)250-177(78)276)133-22-89(110(357-133)47-337-396(308,309)376-90-23-134(260-36-79(2)178(277)251-193(260)289)358-111(90)48-338-400(316,317)381-94-27-139(265-69-230-149-160(203)214-61-222-168(149)265)362-115(94)52-342-402(320,321)383-96-29-141(267-71-232-151-162(205)216-63-224-170(151)267)361-114(96)51-341-394(304,305)374-88-21-132(258-14-9-126(200)243-191(258)287)353-106(88)43-333-390(296,297)370-85-18-129(255-11-6-123(197)240-188(255)284)352-105(85)42-332-391(298,299)371-86-19-130(256-12-7-124(198)241-189(256)285)355-108(86)45-335-399(314,315)380-93-26-138(264-68-229-148-159(202)213-60-221-167(148)264)360-113(93)50-340-393(302,303)373-84-17-128(254-10-5-122(196)239-187(254)283)351-104(84)41-331-389(294,295)369-83-16-137(349-102(83)39-274)263-67-228-147-158(201)212-59-220-166(147)263)375-395(306,307)334-44-107-87(20-131(354-107)257-13-8-125(199)242-190(257)286)372-392(300,301)336-46-109-91(24-135(356-109)261-37-80(3)179(278)252-194(261)290)377-398(312,313)348-58-121-101(34-146(368-121)273-77-238-157-176(273)246-186(211)249-183(157)282)387-406(328,329)346-56-119-99(32-144(366-119)270-74-235-154-165(208)219-66-227-173(154)270)386-405(326,327)345-55-118-98(31-143(365-118)269-73-234-153-164(207)218-65-226-172(153)269)385-404(324,325)344-54-117-97(30-142(364-117)268-72-233-152-163(206)217-64-225-171(152)268)384-403(322,323)343-53-116-95(28-140(363-116)266-70-231-150-161(204)215-62-223-169(150)266)382-401(318,319)339-49-112-92(25-136(359-112)262-38-81(4)180(279)253-195(262)291)378-397(310,311)347-57-120-100(33-145(367-120)272-76-237-156-175(272)245-185(210)248-182(156)281)379-388(292,293)330-40-103-82(275)15-127(350-103)271-75-236-155-174(271)244-184(209)247-181(155)280/h5-14,35-38,59-77,82-121,127-146,274-275H,15-34,39-58H2,1-4H3,(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H2,196,239,283)(H2,197,240,284)(H2,198,241,285)(H2,199,242,286)(H2,200,243,287)(H2,201,212,220)(H2,202,213,221)(H2,203,214,222)(H2,204,215,223)(H2,205,216,224)(H2,206,217,225)(H2,207,218,226)(H2,208,219,227)(H,250,276,288)(H,251,277,289)(H,252,278,290)(H,253,279,291)(H3,209,244,247,280)(H3,210,245,248,281)(H3,211,246,249,282)
2.1.3 InChI Key
JLCPHMBAVCMARE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Oligonucleotide

2. Oligonucleotides

2.2.2 Depositor-Supplied Synonyms

1. Acacccaattctgaaaatgg

2. Antisense Oligo To Hiv-1 5349-5368

3. 104053-06-7

4. Oligonucleotides

2.3 Create Date
2007-07-04
3 Chemical and Physical Properties
Molecular Weight 6094 g/mol
Molecular Formula C195H245N78O114P19
XLogP3-37.7
Hydrogen Bond Donor Count44
Hydrogen Bond Acceptor Count152
Rotatable Bond Count116
Exact Mass6093.0853594 g/mol
Monoisotopic Mass6091.0786497 g/mol
Topological Polar Surface Area2590 Ų
Heavy Atom Count406
Formal Charge0
Complexity17800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count60
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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Ltd. (VIPL) SEZ\/KOLTHUR","hs_no":"29349990","bill_no":"1000150","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"N\/A","supplierAddress":"589 NORTH YULONG ROAD, XINBEI DISTRICT,CHANGZHOU 213127, JIANGSU, CHINA CN","customerAddress":"18\/1 3 AZAMABAD"},{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q4","strtotime":1671733800,"product":"CPG 1018 ADJUVANT, FROZEN (1018 BULK OLIGONUCLEOTIDE)","address":"18\/1 3 AZAMABAD","city":"HYDERABAD ,ANDHRA PRADESH","supplier":"CHANGZHOU SYNTHEALL PHARMACEUTICAL ","supplierCountry":"CHINA","foreign_port":"N\/A","customer":"BIOLOGICAL E","customerCountry":"INDIA","quantity":"8.24","actualQuantity":"8242","unit":"GMS","unitRateFc":"834.4","totalValueFC":"6972376.6","currency":"USD","unitRateINR":"69712.1","date":"23-Dec-2022","totalValueINR":"574567503","totalValueInUsd":"6972376.6","indian_port":"Vaxenic India Pvt. Ltd. (VIPL) SEZ\/KOLTHUR","hs_no":"29349990","bill_no":"1000154","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"N\/A","supplierAddress":"589 NORTH YULONG ROAD, XINBEI DISTRICT,CHANGZHOU 213127, JIANGSU, CHINA CN","customerAddress":"18\/1 3 AZAMABAD"}]
06-Jan-2021
01-Sep-2023
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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