Di-tert-butyl L-(+)-tartrate

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CAS
117384-45-9
Size
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Purity
>97.0%(GC)
Price
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Availability
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Catalog Number

ACM117384459

Product Name

Di-tert-butyl L-(+)-tartrate

Structure

Structure

CAS

117384-45-9

Category

Heterocyclic Organic Compound

Synonyms

(+)-Di-tert-butyl L-tartrate, Di-tert-butyl L-(+)-Tartrate, 117384-45-9, 420026_ALDRICH, 95357_FLUKA, 95359_FLUKA, CTK4B0241, ANW-17020, AKOS016016037, AG-D-39254, L-(+)-Tartaric Acid Di-tert-Butyl Ester, D3898, FT-0628019, I14-45641, Butanedioic acid,2,3-dihydroxy- (2R,3R)-, 1,4-bis(1,1-dimethylethyl) ester, Butanedioicacid, 2,3-dihydroxy- (2R,3R)-, bis(1,1-dimethylethyl) ester (9CI); Butanedioicacid, 2,3-dihydroxy-[R-(R*,R*)]-, bis(1,1-dimethylethyl) ester;(2R,3R)-Di-tert-butyl tartrate; Di-tert-butyl (+)-L-tartrate; Di-tert-butyltartrate; L-(+)-Tartaric acid di-tert-butyl ester

IUPAC Name

ditert-butyl (2R,3R)-2,3-dihydroxybutanedioate

Molecular Weight

262.3

Molecular Formula

C₁₂H₂₂O₆

Canonical SMILES

CC(C)(C)OC(=O)C(C(C(=O)OC(C)(C)C)O)O;

InChI

InChI=1S/C12H22O6/c1-11(2,3)17-9(15)7(13)8(14)10(16)18-12(4,5)6/h7-8,13-14H,1-6H3/t7-,8-/m1/s1;

InChI Key

ITWOKJQQGHCDBL-HTQZYQBOSA-N

Boiling Point

321.8ºC at 760mmHg

Melting Point

90-92ºC(lit.)

Flash Point

109.2ºC

Density

1.143g/cm³

Complexity

278

Covalently-Bonded Unit Count

1

Defined Atom Stereocenter Count

2

Exact Mass

262.14200

H-Bond Acceptor

6

H-Bond Donor

2

Heavy Atom Count

18

Monoisotopic Mass

262.142g/mol

Rotatable Bond Count

7

Safety Description

S22-S24/25

Topological Polar Surface Area

93.1A^2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Di-tert-butyl L-(+)-Tartrate?

The molecular formula of Di-tert-butyl L-(+)-Tartrate is C12H22O6.

What is the molecular weight of Di-tert-butyl L-(+)-Tartrate?

The molecular weight of Di-tert-butyl L-(+)-Tartrate is 262.30 g/mol.

What is the IUPAC Name of Di-tert-butyl L-(+)-Tartrate?

The IUPAC Name of Di-tert-butyl L-(+)-Tartrate is ditert-butyl (2R,3R)-2,3-dihydroxybutanedioate.

What is the InChI of Di-tert-butyl L-(+)-Tartrate?

The InChI of Di-tert-butyl L-(+)-Tartrate is InChI=1S/C12H22O6/c1-11(2,3)17-9(15)7(13)8(14)10(16)18-12(4,5)6/h7-8,13-14H,1-6H3/t7-,8-/m1/s1.

What is the InChIKey of Di-tert-butyl L-(+)-Tartrate?

The InChIKey of Di-tert-butyl L-(+)-Tartrate is ITWOKJQQGHCDBL-HTQZYQBOSA-N.

What is the Canonical SMILES of Di-tert-butyl L-(+)-Tartrate?

The Canonical SMILES of Di-tert-butyl L-(+)-Tartrate is CC(C)(C)OC(=O)C(C(C(=O)OC(C)(C)C)O)O.

What is the Isomeric SMILES of Di-tert-butyl L-(+)-Tartrate?

The Isomeric SMILES of Di-tert-butyl L-(+)-Tartrate is CC(C)(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)(C)C)O)O.

What is the CAS number of Di-tert-butyl L-(+)-Tartrate?

The CAS number of Di-tert-butyl L-(+)-Tartrate is 117384-45-9.

What is the XLogP3 value of Di-tert-butyl L-(+)-Tartrate?

The XLogP3 value of Di-tert-butyl L-(+)-Tartrate is 0.9.

Is Di-tert-butyl L-(+)-Tartrate a canonical compound?

Yes, Di-tert-butyl L-(+)-Tartrate is a canonical compound.

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