4891-15-0
Product Name:
estra-1,3,5(10)-triene-3,17beta-diol 3-[bis(2-chloroethyl)carbamate] 17-(dihydrogen phosphate)
Formula:
C23H32Cl2NO6P
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COMPUTED DESCRIPTORS
| Molecular Weight | 520.4 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 519.1344301 g/mol |
| Monoisotopic Mass | 519.1344301 g/mol |
| Topological Polar Surface Area | 96.3 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 747 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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
Estramustine phosphate is a steroid phosphate which is the 17-O-phospho derivative of estramustine. It is a steroid phosphate, a carbamate ester and an organochlorine compound. It is functionally related to an estramustine. It is a conjugate acid of an estramustine phosphate(2-).