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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 | Hazard Symbols | A reproductive hazard. TWA 0.2 mg(Se)/m3 | |
Synonyms |
N/A |
Article Data | 1 |
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
1. | ACGIH TLV:TWA 0.2 mg(Se)/m3 |
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.