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Dibutyl L-Tartrate

CAT: 0572-TRC-D429540-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D429540-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15763-01-6
Synonyms
2,3-Dihydroxy-(2R,3R)-butanedioic Acid 1,4-Dibutyl Ester; 2,3-Dihydroxy-[R-(R*,R*)]-butanedioic Acid Dibutyl Ester; Tartaric Acid Dibutyl Ester; (+)-Dibutyl Tartrate; (+)-Tartaric acid Dibutyl Ester; (2R,3R)-Di-n-butyl Tartrate; (2R,3R)-Dibutyl Tartrate; Di-n-butyl L-Tartrate; Dibutyl (+)-L-Tartrate; Dibutyl (R,R)-Tartrate; Dibutyl L-(+)-Tartrate; Dibutyl Tartrate; ENT 396; L-(+)-Tartaric Acid Dibutyl Ester
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (GC)
Smiles
CCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCC
Molecular Formula
C12H22O6
Molecular Weight
262.3
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(+)-Dibutyl tartrate
CAS Number15763-01-6
PubChem CID6910
IUPAC Namedibutyl (2R,3R)-2,3-dihydroxybutanedioate
Molecular FormulaC12H22O6
Molecular Weight262.30
XLogP1.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count18
Formal Charge0
Complexity227
SMILES
CCCCOC(=O)[C@@H]([C@H](C(=O)OCCCC)O)O
InChI
InChI=1S/C12H22O6/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10,13-14H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKey
PCYQQSKDZQTOQG-NXEZZACHSA-N
Chemical Structure
2D Structure
2D structure of (+)-Dibutyl tartrate
CAS: 15763-01-6
CID: 6910
Formula: C12H22O6
MW: 262.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.30
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass262.14163842
Monoisotopic Mass262.14163842
Topological Polar Surface Area93.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity227
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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