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3031-98-9,MFCD23135237
Catalog No.:AA002ZJO

3031-98-9 | (3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$61.00   $43.00
- +
250mg
95%
in stock  
$95.00   $67.00
- +
1g
95%
in stock  
$245.00   $172.00
- +
5g
95%
in stock  
$866.00   $606.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002ZJO
Chemical Name:
(3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
CAS Number:
3031-98-9
Molecular Formula:
C7H12O7
Molecular Weight:
208.1660
MDL Number:
MFCD23135237
SMILES:
COC(=O)C(=O)[C@H]([C@@H]([C@H](CO)O)O)O
NSC Number:
163924
Properties
Properties
 
BP:
495.4°C at 760 mmHg  
Form:
Solid  
MP:
158-159℃  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
214  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-2.5  

Downstream Synthesis Route

[1]HelveticaChimicaActa,1934,vol.17,p.311,319

[1]HelveticaChimicaActa,1934,vol.17,p.311,319

[2]HelveticaChimicaActa,1934,vol.17,p.311,319

[3]JournalfurpraktischeChemie(Leipzig1954),1955,vol.<4>1,p.153,154

[4]Patent:WO2005/56511,2005,A1.Locationinpatent:Page/Pagecolumn4;5

3031-98-9   
L-<i>xylo</i>-2hexulosonicacidamide 

[1]Patent:US2432438,1946,

[1]ChemischeBerichte,1937,vol.70,p.2148,2152

Literature

Title: Functional expression of a thermophilic glucuronyl esterase from Sporotrichum thermophile: identification of the nucleophilic serine.

Journal: Applied microbiology and biotechnology 20100801

Title: Purification, characterization and mass spectrometric sequencing of a thermophilic glucuronoyl esterase from Sporotrichum thermophile.

Journal: FEMS microbiology letters 20090601

Title: Duocarmycin-based prodrugs for cancer prodrug monotherapy.

Journal: Bioorganic & medicinal chemistry 20080615

Quotation Request
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Additional Info:
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SDS
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Tags:3031-98-9 Molecular Formula|3031-98-9 MDL|3031-98-9 SMILES|3031-98-9 (3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
Catalog No.: AA002ZJO
3031-98-9,MFCD23135237
3031-98-9 | (3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
Pack Size： 100mg
Purity： 95%
in stock
$61.00 $43.00
Pack Size： 250mg
Purity： 95%
in stock
$95.00 $67.00
Pack Size： 1g
Purity： 95%
in stock
$245.00 $172.00
Pack Size： 5g
Purity： 95%
in stock
$866.00 $606.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002ZJO
Chemical Name: (3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate
CAS Number: 3031-98-9
Molecular Formula: C7H12O7
Molecular Weight: 208.1660
MDL Number: MFCD23135237
SMILES: COC(=O)C(=O)[C@H]([C@@H]([C@H](CO)O)O)O
NSC Number: 163924
Properties
BP: 495.4°C at 760 mmHg  
Form: Solid  
MP: 158-159℃  
Storage: Keep in dry area;Room Temperature;  
Complexity: 214  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 3  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -2.5  
Downstream Synthesis Route
186581-53-3    526-98-7    3031-98-9 

[1]HelveticaChimicaActa,1934,vol.17,p.311,319

67-56-1    526-98-7    3031-98-9 

[1]HelveticaChimicaActa,1934,vol.17,p.311,319

[2]HelveticaChimicaActa,1934,vol.17,p.311,319

[3]JournalfurpraktischeChemie(Leipzig1954),1955,vol.&lt;4&gt;1,p.153,154

[4]Patent:WO2005/56511,2005,A1.Locationinpatent:Page/Pagecolumn4;5

3031-98-9   
L-<i>xylo</i>-2hexulosonicacidamide 

[1]Patent:US2432438,1946,

3031-98-9    95-54-5    1222-71-5 

[1]ChemischeBerichte,1937,vol.70,p.2148,2152

Literature fold

Title: Functional expression of a thermophilic glucuronyl esterase from Sporotrichum thermophile: identification of the nucleophilic serine.

Journal: Applied microbiology and biotechnology20100801

Title: Purification, characterization and mass spectrometric sequencing of a thermophilic glucuronoyl esterase from Sporotrichum thermophile.

Journal: FEMS microbiology letters20090601

Title: Duocarmycin-based prodrugs for cancer prodrug monotherapy.

Journal: Bioorganic & medicinal chemistry20080615

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