My ChemCD

1638487-44-1
2,2,2-Trifluoroacetic acid compound with 2-(2-isobutyramido-6-oxo-1H-purin-9(6H)-yl)acetic acid (1:1)

Directory: 1. Identification; 2. Chemical and Physical Properties; 3. Material Safety Data Sheet(MSDS); 4. CML File; 5. TOP Suppliers; 6. Related products

Name

2,2,2-Trifluoroacetic acid compound with 2-(2-isobutyramido-6-oxo-1H-purin-9(6H)-yl)acetic acid (1:1)

Formula

C13H14F3N5O6

MolWeight

393.2754

CCD No.

CCD08294074

CAS

1638487-44-1

MDL

1Identification

【Name】

2,2,2-Trifluoroacetic acid compound with 2-(2-isobutyramido-6-oxo-1H-purin-9(6H)-yl)acetic acid (1:1)

【CAS】

1638487-44-1

【MDL】

【English Synonyms】

2,2,2-TRIFLUOROACETIC ACID COMPOUND WITH 2-(2-ISOBUTYRAMIDO-6-OXO-1H-PURIN-9(6H)-YL)ACETIC ACID (1:1)

【Formula】

C13H14F3N5O6

【MolWeight】

393.2754

【Inchi】

InChI=1S/C11H13N5O4.C2HF3O2/c1-5(2)9(19)14-11-13-8-7(10(20)15-11)12-4-16(8)3-6(17)18;3-2(4,5)1(6)7/h4-5H,3H2,1-2H3,(H,17,18)(H2,13,14,15,19,20);(H,6,7)

【InChIKey】

InChIKey=KYEIVXPDFHYFIC-UHFFFAOYSA-N

【SMILES】

C(C(C)C)(=O)NC=1NC(C=2N=CN(C2N1)CC(=O)O)=O.FC(C(=O)O)(F)F

【MOL File】

2,2,2-Trifluoroaceti….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:0

H bond acceptor:0

XLogP3:0.0

Bulk/Fine:

3Material Safety Data Sheet(MSDS)

4CML File

2,2,2-Trifluoroacetic acid compound with 2-(2-isobutyramido-6-oxo-1H-purin-9(6H)-yl)acetic acid (1:1).cml

Quick Release

TOP Suppliers

Bide Pharmatech Ltd
Catalog No:BD291700 100mg
Catalog No:BD291700 250mg
Catalog No:BD291700 1g
Country/Region:China
Business Type:Trading Company
http://www.bidepharmatech.com/

More 1638487-44-1 Suppliers>>

1638487-44-1 2,2,2-Trifluoroacetic acid compound with 2-(2-isobutyramido-6-oxo-1H-purin-9(6H)-yl)acetic acid (1:1)