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2904-41-8 | 1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo-
CAS No: 2904-41-8 Catalog No: AG002VAW MDL No:MFCD00059790
Product Description
Catalog Number:
AG002VAW
Chemical Name:
1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanoic acid, 2,4,6-trioxo-
CAS Number:
2904-41-8
Molecular Formula:
C12H15N3O9
Molecular Weight:
345.2622
MDL Number:
MFCD00059790
IUPAC Name:
3-[3,5-bis(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid
InChI:
InChI=1S/C12H15N3O9/c16-7(17)1-4-13-10(22)14(5-2-8(18)19)12(24)15(11(13)23)6-3-9(20)21/h1-6H2,(H,16,17)(H,18,19)(H,20,21)
InChI Key:
HENCHDCLZDQGIQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1c(=O)n(CCC(=O)O)c(=O)n(c1=O)CCC(=O)O
EC Number:
220-803-1
NSC Number:
11694
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.081g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
345.264g/mol
Monoisotopic Mass:
345.081g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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