Nae-3,7-dhca
(4R)-N-(2-aminoethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
Also Known As: Nae-3,7-dhca|KST-1A8449|(3|A,5|A,7|A,17|A)-n-(2-aminoethyl)-3,7-dihydroxycholan-24-amide|(4R)-N-(2-aminoethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
| Molecular Formula | C26H46N2O3 |
|---|---|
| Molecular Weight | 434.35083 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.35083 |
| Monoisotopic Mass | 434.35083 |
| Heavy Atoms | 31 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 83256-99-9 |
|---|---|
| SMILES | C[C@H](CCC(=O)NCCN)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChIKey | PJQVFKBWSMRJQG-CEKROEOGSA-N |
Product Overview
Nae-3,7-dhca (CAS 83256-99-9), with molecular formula C26H46N2O3 and molecular weight 434.35083 g/mol. IUPAC: (4R)-N-(2-aminoethyl)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide.