Basic information
- Name:
POLYESTRADIOL PHOSPHATE
- CAS No.:
34828-67-6
- Molecular Structure:
- Formula:
- C18H25O5P
- Molecular Weight:
- 352.3619
- Density:
- 1.37g/cm3
- Boiling Point:
- 561.9°Cat760mmHg
- Flash Point:
- 293.6°C
- Safety Description:
- Human reproductive effects by intramuscular route: testes, epididymis, sperm duct effects. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of POx. Details
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Chemistry
IUPAC Name: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] dihydrogen phosphate
Empirical Formula: C18H25O5P
Molecular Weight: 352.3619g/mol
XLogP3: 2.9
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Tautomer Count: 9
Exact Mass: 352.14396
MonoIsotopic Mass: 352.14396
Topological Polar Surface Area: 87
Heavy Atom Count: 24
Formal Charge: 0
Complexity: 534
Index of Refraction: 1.612
Molar Refractivity: 89.18 cm3
Molar Volume: 256.3 cm3
Polarizability: 35.35×10-24cm3
Surface Tension: 63.3 dyne/cm
Density: 1.37 g/cm3
Flash Point: 293.6 °C
Enthalpy of Vaporization: 88.89 kJ/mol
Boiling Point: 561.9 °C at 760 mmHg
Vapour Pressure: 1.83E-13 mmHg at 25°C
Canonical SMILES: CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)O
Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C18H25O5P/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H2,20,21,22)/t14-,15-,16+,17+,18+/m1/s1
InChIKey: BBWXLCKRYRQQPL-ZBRFXRBCSA-N
Structure of Polyestradiol phosphate (CAS NO.34828-67-6):
.bmp)
Uses
Polyestradiol phosphate is an estrogen used as an antineoplastic agent.
Safety Profile
Human reproductive effects by intramuscular route: testes, epididymis, sperm duct effects. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of POx.
Specification
Polyestradiol phosphate , its cas register number is 34828-67-6. It also can be called 17-beta-Estra 1,3,5(10)-triene-3,17-diol, 17-dihydrogen phosphate, homopolymer . When heated to decomposition it emits very toxic fumes of POx. And Polyestradiol phosphate (CAS NO.34828-67-6) is a kind of questionable carcinogen.