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96345-79-8,MFCD00070374
Catalog No.:AA00IJQ4

96345-79-8 | a-D-Mannopyranoside, 4-isothiocyanatophenyl

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
95%
in stock  
$129.00   $90.00
- +
10mg
95%
in stock  
$206.00   $144.00
- +
100mg
97%
in stock  
$307.00   $215.00
- +
1g
97%
in stock  
$914.00   $640.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IJQ4
Chemical Name:
a-D-Mannopyranoside, 4-isothiocyanatophenyl
CAS Number:
96345-79-8
Molecular Formula:
C13H15NO6S
Molecular Weight:
313.3263
MDL Number:
MFCD00070374
SMILES:
OC[C@H]1O[C@H](Oc2ccc(cc2)N=C=S)[C@H]([C@H]([C@@H]1O)O)O
Properties
Computed Properties
 
Complexity:
383  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
4  
XLogP3:
1  

Downstream Synthesis Route
26787-78-0    96345-79-8   
11-N-(α-D-Mannopyranosylphenylthiocarbamoyl)amoxicillin 

[1]Hetfleisch-Stephan;Schunk;Rudiger[Pharmazie,1994,vol.49,#2-3,p.125-130]

4097-89-6    96345-79-8   
C45H63N7O18S3 

[1]Kieburg,Christoffer;Lindhorst,ThisbeK.[TetrahedronLetters,1997,vol.38,#22,p.3885-3888]

[1]Kieburg,Christoffer;Lindhorst,ThisbeK.[TetrahedronLetters,1997,vol.38,#22,p.3885-3888]

929-59-9    96345-79-8   
C32H46N4O14S2 

[1]Gestwicki,JasonE.;Cairo,ChristopherW.;Strong,LauraE.;Oetjen,KarolynA.;Kiessling,LauraL.[JournaloftheAmericanChemicalSociety,2002,vol.124,#50,p.14922-14933]

[1]Kieburg,Christoffer;Lindhorst,ThisbeK.[TetrahedronLetters,1997,vol.38,#22,p.3885-3888]

Literature
Quotation Request
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SDS
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Tags:96345-79-8 Molecular Formula|96345-79-8 MDL|96345-79-8 SMILES|96345-79-8 a-D-Mannopyranoside, 4-isothiocyanatophenyl
Catalog No.: AA00IJQ4
96345-79-8,MFCD00070374
96345-79-8 | a-D-Mannopyranoside, 4-isothiocyanatophenyl
Pack Size： 5mg
Purity： 95%
in stock
$129.00 $90.00
Pack Size： 10mg
Purity： 95%
in stock
$206.00 $144.00
Pack Size： 100mg
Purity： 97%
in stock
$307.00 $215.00
Pack Size： 1g
Purity： 97%
in stock
$914.00 $640.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IJQ4
Chemical Name: a-D-Mannopyranoside, 4-isothiocyanatophenyl
CAS Number: 96345-79-8
Molecular Formula: C13H15NO6S
Molecular Weight: 313.3263
MDL Number: MFCD00070374
SMILES: OC[C@H]1O[C@H](Oc2ccc(cc2)N=C=S)[C@H]([C@H]([C@@H]1O)O)O
Properties
Complexity: 383  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 5  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 4  
Rotatable Bond Count: 4  
XLogP3: 1  
Downstream Synthesis Route
26787-78-0    96345-79-8   
11-N-(α-D-Mannopyranosylphenylthiocarbamoyl)amoxicillin 

[1]Hetfleisch-Stephan;Schunk;Rudiger[Pharmazie,1994,vol.49,#2-3,p.125-130]

4097-89-6    96345-79-8   
C45H63N7O18S3 

[1]Kieburg,Christoffer;Lindhorst,ThisbeK.[TetrahedronLetters,1997,vol.38,#22,p.3885-3888]

463-71-8    34213-86-0    96345-79-8 

[1]Kieburg,Christoffer;Lindhorst,ThisbeK.[TetrahedronLetters,1997,vol.38,#22,p.3885-3888]

929-59-9    96345-79-8   
C32H46N4O14S2 

[1]Gestwicki,JasonE.;Cairo,ChristopherW.;Strong,LauraE.;Oetjen,KarolynA.;Kiessling,LauraL.[JournaloftheAmericanChemicalSociety,2002,vol.124,#50,p.14922-14933]

10357-27-4    96345-79-8 

[1]Kieburg,Christoffer;Lindhorst,ThisbeK.[TetrahedronLetters,1997,vol.38,#22,p.3885-3888]

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