Encyclopedia / Pharmaceutical Intermediates / Laboratory Chemicals

(+)-L-TARTARIC ACID DIBENZYL AMIDE

CAS：88393-56-0
MW:328.36
MF：C18H20N2O4

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Names and ldentifier
Properties
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: (+)-L-TARTARIC ACID DIBENZYL AMIDE

1.2 Synonyms: (+)-(2R,3R)-2,3-Dihydroxy-N,N'-bis(benzyl)butanediamide; (2R,3R)-2,3-Dihydroxy-N1,N4-bis(phenylmethyl)butanediamide; ButanediaMide,2,3-dihydroxy-N1,N4-bis(phenylMethyl)-, (2R,3R)-; N,N'-DIBENZYL (2R,3R)-2,3-DIHYDROXYSUCCINAMIDE;

1.3 CAS No.: 88393-56-0

1.4 CID: 7271811

1.5 Molecular Formula: C18H20N2O4

1.6 Inchi: InChI=1S/C18H20N2O4/c21-15(17(23)19-11-13-7-3-1-4-8-13)16(22)18(24)20-12-14-9-5-2-6-10-14/h1-10,15-16,21-22H,11-12H2,(H,19,23)(H,20,24)/t15-,16-/m1/s1

1.7 InChkey: BBYSAHVLSFBCMN-HZPDHXFCSA-N

1.8 Canonical Smiles: C1=CC=C(C=C1)CNC(=O)C(C(C(=O)NCC2=CC=CC=C2)O)O

1.9 Isomers Smiles: C1=CC=C(C=C1)CNC(=O)[C@@H]([C@H](C(=O)NCC2=CC=CC=C2)O)O

2. Properties

2.1 Storage: Ambient temperatures.

2.2 Color/Form: White

2.3 pKa: 11.28±0.20(Predicted)

2.4 StorageTemp: Sealed in dry,Room Temperature

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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4. Synthesis Route

88393-56-0Total: 6 Synthesis Route

88393-56-0 10 Suppliers

108321-43-3 1 Suppliers

88393-56-0 10 Suppliers

313266-11-4

108321-43-3 1 Suppliers

88393-56-0 10 Suppliers

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5. Precursor and Product

precursor:

87-69-4

526-78-3

313266-11-4

100-46-9

608-68-4

88393-56-0

87-91-2

product:

88393-56-0

108321-43-3

6. Computed Properties

Molecular Weight：328.36g/mol
Molecular Formula：C₁₈H₂₀N₂O₄
Compound Is Canonicalized：True
Exact Mass：0.6
XLogP3-AA：328.14230712
Monoisotopic Mass：328.14230712
Complexity：366
Rotatable Bond Count：7
Hydrogen Bond Donor Count：4
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：98.7
Heavy Atom Count：：24
Defined Atom Stereocenter Count：2
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADBThmAYwAILAAgCIAiFSEAKCAAAgAAAIiIFIBIgLMDaAkRGEYAhitgCZiAcVgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==