200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 78094-12-9
78094-12-9 | 1,3-bis(2-methyl-5-nitro-1h-imidazol-1-yl)propan-2-ol
CAS No: 78094-12-9 Catalog No: AG0055DF MDL No:
Product Description
Catalog Number:
AG0055DF
Chemical Name:
1,3-bis(2-methyl-5-nitro-1h-imidazol-1-yl)propan-2-ol
CAS Number:
78094-12-9
Molecular Formula:
C11H14N6O5
Molecular Weight:
310.2661
IUPAC Name:
(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-18,20-25,28,30-31H,5-15H2,1-4H3/t16?,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI Key:
UCVRZTRGVBWBPR-SSGCBCEYSA-N
SMILES:
OC(Cn1c(C)ncc1[N+](=O)[O-])Cn1c(C)ncc1[N+](=O)[O-]
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
434.34g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
434.661g/mol
Monoisotopic Mass:
434.34g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Related Products
© 2019 Angene International Limited. All rights Reserved.