200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 129454-18-8
129454-18-8 | 1,2,4-Triazine-3,5(2H,4H)-dione, 2-[2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-, (2R-cis)- (9CI)
CAS No: 129454-18-8 Catalog No: AG000Z61 MDL No:
Product Description
Catalog Number:
AG000Z61
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 2-[2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-, (2R-cis)- (9CI)
CAS Number:
129454-18-8
Molecular Formula:
C8H9N3O4
Molecular Weight:
211.1748
IUPAC Name:
2-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C8H9N3O4/c12-4-5-1-2-7(15-5)11-8(14)10-6(13)3-9-11/h1-3,5,7,12H,4H2,(H,10,13,14)/t5-,7+/m0/s1
InChI Key:
FNPAYSJFZHAVJQ-CAHLUQPWSA-N
SMILES:
OC[C@H]1O[C@H](C=C1)n1ncc(=O)[nH]c1=O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
211.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.177g/mol
Monoisotopic Mass:
211.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.