Estradiol-3N-diethylcarbamate-17beta phosphate
[(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-diethylcarbamate
Also Known As: Dinitrogen-N-sulfide|Estradiol-3N-diethylcarbamate-17beta phosphate|17-(Phosphonooxy)estra-1(10),2,4-trien-3-yl diethylcarbamate|17beta-(Phosphonooxy)estra-1(10),2,4-trien-3-yl diethylcarbamate|Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(diethylcarbamate) 17-(dihydrogen phosphate)|[(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-diethylcarbamate|Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 3-(diethylcarbamate) 17-(dihydrogen phosphate)
| Molecular Formula | C23H34NO6P |
|---|---|
| Molecular Weight | 451.21237 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.21237 |
| Monoisotopic Mass | 451.21237 |
| Heavy Atoms | 31 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 56397-06-9 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OP(=O)(O)O)C |
| InChIKey | GESPYTQTQRQEPQ-RBRWEJTLSA-N |
Product Overview
Estradiol-3N-diethylcarbamate-17beta phosphate (CAS 56397-06-9), with molecular formula C23H34NO6P and molecular weight 451.21237 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-13-methyl-17-phosphonooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-diethylcarbamate.
Estradiol-3N-diethylcarbamate-17beta phosphate is a custom synthesis product. We offer services from milligram to kilogram scale.
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