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7-(3,5-bis((Tetrahydro-2h-pyran-2-yl)-oxy)-2-(4-phenoxy-3-((tetrahydro-2h-pyran-2-yl)oxy)-1-butenyl)-cyclo-pentyl)-2-(phenylseleno)-5-hepten-oic acid, methyl ester
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Name

7-(3,5-bis((Tetrahydro-2h-pyran-2-yl)-oxy)-2-(4-phenoxy-3-((tetrahydro-2h-pyran-2-yl)oxy)-1-butenyl)-cyclo-pentyl)-2-(phenylseleno)-5-hepten-oic acid, methyl ester

 EINECS N/A
CAS No. 62524-93-0 Density g/cm3
PSA 90.91000 LogP 7.71080
Solubility N/A Melting Point N/A
Formula C44H60O9Se Boiling Point 824.3°Cat760mmHg
Molecular Weight 811.915 Flash Point 452.3°C
Transport Information N/A Appearance N/A
Safety Experimental reproductive effects. When heated to decomposition it emits toxic vapors of Se. Risk Codes N/A
Molecular Structure Molecular Structure of 62524-93-0 (7-[3,5-Bis[(tetrahydro-2H-pyran-2-yl)oxy]-2-[4-phenoxy-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-butenyl]cyclopentyl]-2-phenylseleno-5-heptenoic acid methyl ester) Hazard Symbols A reproductive hazard. TWA 0.2 mg(Se)/m3
Synonyms

N/A

Article Data 1

7-(3,5-bis((Tetrahydro-2h-pyran-2-yl)-oxy)-2-(4-phenoxy-3-((tetrahydro-2h-pyran-2-yl)oxy)-1-butenyl)-cyclo-pentyl)-2-(phenylseleno)-5-hepten-oic acid, methyl ester Chemical Properties

IUPAC Name: Methyl (E)-7-[3,5-bis(oxan-2-yloxy)-2-[(E)-3-(oxan-2-yloxy)-4-phenoxybut-1-enyl]cyclopentyl]-2-phenylselanylhept-5-enoate
Synonyms of 7-(3,5-bis((Tetrahydro-2h-pyran-2-yl)-oxy)-2-(4-phenoxy-3-((tetrahydro-2h-pyran-2-yl)oxy)-1-butenyl)-cyclo-pentyl)-2-(phenylseleno)-5-hepten-oic acid, methyl ester (CAS NO.62524-93-0): 5-Heptenoic acid, 7-(3,5-bis((tetrahydro-2H-pyran-2-yl)oxy)-2-(4-phenoxy-3-((tetrahydro-2H-pyran-2-yl)oxy)-1-butenyl)cyclopentyl)-2-(phenylseleno)-, methyl ester
CAS NO: 62524-93-0
Molecular Formula: C44H60O9Se
Molecular Weight: 811.9018
Molecular Structure :
H bond acceptors: 9
H bond donors: 0
Freely Rotating Bonds: 20
Polar Surface Area: 90.91 Å2
Flash Point: 452.3 °C
Enthalpy of Vaporization: 119.79 kJ/mol
Boiling Point: 824.3 °C at 760 mmHg
Vapour Pressure: 2.7E-27 mmHg at 25°C
InChI: InChI=1/C44H60O9Se/c1-46-44(45)40(54-35-19-7-3-8-20-35)22-10-4-9-21-36-37(27-26-34(51-41-23-11-14-28-47-41)32-50-33-17-5-2-6-18-33)39(53-43-25-13-16-30-49-43)31-38(36)52-42-24-12-15-29-48-42/h2-9,17-20,26-27,34,36-43H,10-16,21-25,28-32H2,1H3/b9-4+,27-26+
InChIKey: GAPSWPIKSHHQHV-AQOLHVTCBQ
Std. InChI: InChI=1S/C44H60O9Se/c1-46-44(45)40(54-35-19-7-3-8-20-35)22-10-4-9-21-36-37(27-26-34(51-41-23-11-14-28-47-41)32-50-33-17-5-2-6-18-33)39(53-43-25-13-16-30-49-43)31-38(36)52-42-24-12-15-29-48-42/h2-9,17-20,26-27,34,36-43H,10-16,21-25,28-32H2,1H3/b9-4+,27-26+
Std. InChIKey: GAPSWPIKSHHQHV-AQOLHVTCSA-N

7-(3,5-bis((Tetrahydro-2h-pyran-2-yl)-oxy)-2-(4-phenoxy-3-((tetrahydro-2h-pyran-2-yl)oxy)-1-butenyl)-cyclo-pentyl)-2-(phenylseleno)-5-hepten-oic acid, methyl ester Toxicity Data With Reference

1.    

ACGIH TLV:TWA 0.2 mg(Se)/m3

7-(3,5-bis((Tetrahydro-2h-pyran-2-yl)-oxy)-2-(4-phenoxy-3-((tetrahydro-2h-pyran-2-yl)oxy)-1-butenyl)-cyclo-pentyl)-2-(phenylseleno)-5-hepten-oic acid, methyl ester Safety Profile

Experimental reproductive effects. When 7-(3,5-bis((Tetrahydro-2h-pyran-2-yl)-oxy)-2-(4-phenoxy-3-((tetrahydro-2h-pyran-2-yl)oxy)-1-butenyl)-cyclo-pentyl)-2-(phenylseleno)-5-hepten-oic acid, methyl ester (CAS NO.62524-93-0) is heated to decomposition, it emits toxic vapors of Se.

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