547-81-9
Product Name:
16-EPIESTRIOL
Formula:
C18H24O3
Synonyms:
1,3,5(10)-Estratriene-3,16β,17β-triol;16β-Hydroxy-17β-estradiol;3,16β,17β-Trihydroxy-1,3,5(10)-estratriene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 153.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
COMPUTED DESCRIPTORS
| Molecular Weight | 288.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 288.17254462 g/mol |
| Monoisotopic Mass | 288.17254462 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 411 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
16beta-hydroxyestradiol is a 3-hydroxy steroid that is 17beta-estradiol substituted by a beta-hydroxy group at position 16. It has a role as a human xenobiotic metabolite and an anti-inflammatory drug. It is a 16beta-hydroxy steroid, a 17beta-hydroxy steroid, a 3-hydroxy steroid, a member of phenols and a phenolic steroid. It is functionally related to a 17beta-estradiol. It derives from a hydride of an estrane.