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3-Deoxygalactosone (>90%)

CAT: 0572-TRC-D237100-5MGSize: 5 mgDry Ice: YesHazardous: No
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CAT#:0572-TRC-D237100-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4134-97-8
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[C@@H](CC(C=O)=O)([C@@H](CO)O)O
Molecular Formula
C6 H10 O5
Molecular Weight
162.14
InChI
InChI=1S/C6H10O5/c7-2-4(9)1-5(10)6(11)3-8/h2,5-6,8,10-11H,1,3H2/t5-,6-/m1/s1
Additionnal Information
IUPAC name: (4R,5R)-4,5,6-trihydroxy-2-oxohexanal
Shipping Conditions
Dry Ice
Storage Conditions
-20°C

Chemical Information

(5R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
CAS Number4134-97-8
PubChem CID46780627
IUPAC Name(5R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
Molecular FormulaC6H10O5
Molecular Weight162.14
XLogP-1.6
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity157
SMILES
C1[C@H](C(OC(C1=O)O)CO)O
InChI
InChI=1S/C6H10O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3,5-8,10H,1-2H2/t3-,5?,6?/m1/s1
InChIKey
UHPMJDGOAZMIID-GBLJGUNLSA-N
Chemical Structure
2D Structure
2D structure of (5R)-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
CAS: 4134-97-8
CID: 46780627
Formula: C6H10O5
MW: 162.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.14
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass162.05282342
Monoisotopic Mass162.05282342
Topological Polar Surface Area87 Ų
Heavy Atom Count11
Formal Charge0
Complexity157
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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