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90776-59-3,MFCD01318092
Catalog No.:AA00ILO8

90776-59-3 | (4R,5R,6S)-4-Nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$9.00   $7.00
- +
1g
97%
in stock  
$21.00   $15.00
- +
5g
97%
in stock  
$60.00   $42.00
- +
10g
97%
in stock  
$99.00   $69.00
- +
25g
97%
in stock  
$207.00   $145.00
- +
100g
97%
in stock  
$585.00   $410.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ILO8
Chemical Name:
(4R,5R,6S)-4-Nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Number:
90776-59-3
Molecular Formula:
C29H27N2O10P
Molecular Weight:
594.5058
MDL Number:
MFCD01318092
SMILES:
C[C@H]([C@H]1C(=O)N2[C@@H]1[C@@H](C)C(=C2C(=O)OCc1ccc(cc1)[N+](=O)[O-])OP(=O)(Oc1ccccc1)Oc1ccccc1)O
Properties
Computed Properties
 
Complexity:
1060  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
11  
XLogP3:
4.8  

Downstream Synthesis Route
93711-81-0   
6-mercapto-6,7-dihydro-5H-pyrazolo<1,2-a><1,2,4>triazoliumchloride 
  120410-24-4 

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[14]Patent:US2012/65392,2012,A1.Locationinpatent:Page/Pagecolumn5

[15]Patent:EP2407468,2012,A2.Locationinpatent:Page/Pagecolumn7

[1]Kumagai,Toshio;Tamai,Satoshi;Abe,Takao;Matsunaga,Hiroshi;Hayashi,Kazuhiko;Kishi,Ikuo;Shiro,Motoo;Nagao,Yoshimitsu[JournalofOrganicChemistry,1998,vol.63,#23,p.8145-8149]

[1]Patent:EP2426131,2012,A1.Locationinpatent:Page/Pagecolumn7-8

[2]JournalofOrganicChemistry,2005,vol.70,p.7479-7487

[3]Patent:WO2008/62279,2008,A2.Locationinpatent:Page/Pagecolumn8-9

[4]Patent:US2009/312539,2009,A1.Locationinpatent:Page/Pagecolumn5

[5]Patent:EP2388261,2011,A2.Locationinpatent:Page/Pagecolumn9

[6]Patent:US2011/288289,2011,A1.Locationinpatent:Page/Pagecolumn5-7

[7]Patent:WO2013/121279,2013,A2.Locationinpatent:Page/Pagecolumn13;14

[8]Patent:CN110698478,2020,A.Locationinpatent:Paragraph0015-0020

[1]Isoda,Takeshi;Ushirogochi,Hideki;Satoh,Koichi;Takasaki,Tsuyoshi;Yamamura,Itsuki;Sato,Chisato;Mihira,Ado;Abe,Takao;Tamai,Satoshi;Yamamoto,Shigeki;Kumagai,Toshio;Nagao,Yoshimitsu[JournalofAntibiotics,2006,vol.59,#4,p.241-247]

[2]CurrentPatentAssignee:HENANQUANYUPHARMACEUTICAL-CN106083858,2016,ALocationinpatent:Paragraph0040

[3]CurrentPatentAssignee:CHENGDUBRILLIANTPHARMACEUTICALCOLTD-CN109096283,2018,ALocationinpatent:Paragraph0021

Literature
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Tags:90776-59-3 Molecular Formula|90776-59-3 MDL|90776-59-3 SMILES|90776-59-3 (4R,5R,6S)-4-Nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate