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Chemistry

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Also known as: (2r)-2-hydroxy-2-(nitromethyl)butanedioic acid, Q27463937
Molecular Formula
C5H7NO7
Molecular Weight
193.11  g/mol
InChI Key
MTIGFRIXIPBOPZ-RXMQYKEDSA-N

Ntc
1 2D Structure

Ntc

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-hydroxy-2-(nitromethyl)butanedioic acid
2.1.2 InChI
InChI=1S/C5H7NO7/c7-3(8)1-5(11,4(9)10)2-6(12)13/h11H,1-2H2,(H,7,8)(H,9,10)/t5-/m1/s1
2.1.3 InChI Key
MTIGFRIXIPBOPZ-RXMQYKEDSA-N
2.1.4 Canonical SMILES
C(C(=O)O)C(C[N+](=O)[O-])(C(=O)O)O
2.1.5 Isomeric SMILES
C(C(=O)O)[C@@](C[N+](=O)[O-])(C(=O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. (2r)-2-hydroxy-2-(nitromethyl)butanedioic Acid

2. Q27463937

2.3 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 193.11 g/mol
Molecular Formula C5H7NO7
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass193.02225156 g/mol
Monoisotopic Mass193.02225156 g/mol
Topological Polar Surface Area141 Ų
Heavy Atom Count13
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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[{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1714329000,"product":"PHARMACEUTICAL-ACTIVE PHARMA INGREDIENTCALCIUM L-5-METHYLTETRAHYDR OFOLATE USP B.NO.PVO\/LMF\/23057 CAS NO 151533-22- 1","address":"401 FIFTH FLOOR, NAINDHARA APARTME","city":"AHMEDABAD, GUJARAT","supplier":"MOLKEM CHEMICALS PRIVATE ","supplierCountry":"INDIA","foreign_port":"GUARULHOS","customer":"TO THE ORDER","customerCountry":"BRAZIL","quantity":"1.20","actualQuantity":"1.2","unit":"KGS","unitRateFc":"5000","totalValueFC":"5763.7","currency":"USD","unitRateINR":401095,"date":"29-Apr-2024","totalValueINR":"481314","totalValueInUsd":"5763.7","indian_port":"Ahmedabad Air","hs_no":"29362990","bill_no":"9475011","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"BRAZIL","selfForZScoreResived":"Pharma Grade","supplierPort":"Ahmedabad Air","supplierAddress":"401 FIFTH FLOOR, NAINDHARA APARTME, AHMEDABAD, GUJARAT","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2024","qtr":"Q2","strtotime":1715625000,"product":"PHARMACEUTICAL- ACTIVE PHARMA INGREDIENTCHLOROBUTANOL ANHYDROUS USP B.NO.CHA-10124,CHA-11021,CHA-11022 CAS NO 57-15-8","address":"401 FIFTH FLOOR, NAINDHARA APARTME","city":"AHMEDABAD, GUJARAT","supplier":"MOLKEM CHEMICALS PRIVATE ","supplierCountry":"INDIA","foreign_port":"GUARULHOS","customer":"TO THE ORDER","customerCountry":"BRAZIL","quantity":"0.15","actualQuantity":"150","unit":"GMS","unitRateFc":"2","totalValueFC":"178.4","currency":"USD","unitRateINR":99.120000000000005,"date":"14-May-2024","totalValueINR":"14868","totalValueInUsd":"178.4","indian_port":"Ahmedabad Air","hs_no":"29051490","bill_no":"9868038","productDescription":"API","marketType":"LESS REGULATED MARKET","country":"BRAZIL","selfForZScoreResived":"Pharma Grade","supplierPort":"Ahmedabad Air","supplierAddress":"401 FIFTH FLOOR, NAINDHARA APARTME, AHMEDABAD, GUJARAT","customerAddress":""},{"dataSource":"API Import","activeIngredients":"","year":"2022","qtr":"Q2","strtotime":1652207400,"product":"TAPENTADOL HCL(RE-IMPORT)S\/B NO. 4481125 DT.09.09.2021 BATCHNO.BPNTC0921057","address":"205-206,LAXMI PLAZA BLDG.NO.9,LAXM I,INDUSTRIAL EST., NEW LINK ROAD,","city":"ANDHERI WEST MUMBAI,MAHARASHTRA","supplier":"NEW GLOBAL PHARMACEUTICALS","supplierCountry":"INDIA","foreign_port":"NA","customer":"PHARMACHEM TECHNOLOGIES","customerCountry":"INDIA","quantity":"175.00","actualQuantity":"175","unit":"KGS","unitRateFc":"450","totalValueFC":"78618.5","currency":"USD","unitRateINR":"34720.5","date":"11-May-2022","totalValueINR":"6076085.95","totalValueInUsd":"78618.5","indian_port":"JNPT","hs_no":"29339990","bill_no":"8635802","productDescription":"Re-Import","marketType":"REGULATED MARKET","country":"INDIA","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"205-206,LAXMI PLAZA BLDG.NO.9,LAXM I,INDUSTRIAL EST., NEW LINK ROAD,"},{"dataSource":"API Import","activeIngredients":"","year":"2023","qtr":"Q3","strtotime":1691692200,"product":"METHYL 6 BROMOPYRIDAZINE 3 CARBOXYLATE PRODUCTID:AG0039NTCAS:65202 52 0AGN2023 1283511 FOR R &D","address":"NA","city":"NA","supplier":"ANGENE INTERNATIONAL","supplierCountry":"CHINA","foreign_port":"NA","customer":"AURIGENE PHARMACEUTICAL SERVICES","customerCountry":"INDIA","quantity":"0.01","actualQuantity":"10","unit":"GMS","unitRateFc":"18.5","totalValueFC":"221.6","currency":"USD","unitRateINR":"1817.5","date":"11-Aug-2023","totalValueINR":"18358.56","totalValueInUsd":"221.6","indian_port":"BANGALORE AIR","hs_no":"29147990","bill_no":"0","productDescription":"API","marketType":"REGULATED MARKET","country":"CHINA","selfForZScoreResived":"Pharma Grade","supplierPort":"NA","supplierAddress":"","customerAddress":"NA"}]
11-May-2022
14-May-2024
KGS
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