Chemical Properties of Prostaglandine F1A, benzeneboronate

Prostaglandine F1A, benzeneboronate

InChI
InChI=1S/C26H39BO5/c1-2-3-7-14-21(28)17-18-23-22(15-10-4-5-11-16-26(29)30)24-19-25(23)32-27(31-24)20-12-8-6-9-13-20/h6,8-9,12-13,17-18,21-25,28H,2-5,7,10-11,14-16,19H2,1H3,(H,29,30)/b18-17+/t21-,22+,23+,24-,25+/m1/s1
InChI Key
XXGMLAHJANWBSW-ZLJGZYERSA-N
Formula
C26H39BO5
SMILES
CCCCCC(O)C=CC1C2CC(OB(c3ccccc3)O2)C1CCCCCCC(=O)O
Molecular Weight1
442.40
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Physical Properties

Property Value Unit Source
ω 1.1863 Relay (1.0) Calculated Property
ΔfG° -270.03 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1051.93 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 172.17 kJ/mol Relay (1.0) Calculated Property
IE 8.88 eV Relay (1.0) Calculated Property
log10WS -4.97 Relay (1.0) Calculated Property
logPoct/wat 4.725 Crippen Calculated Property
Pc 728.41 kPa Relay (1.0-beta) Calculated Property
Inp 3230.00 NIST
Tboil 728.66 K Relay (1.0) Calculated Property
Tc 1010.06 K Relay (1.0) Calculated Property
Tfus 442.13 K Relay (1.0) Calculated Property
Vc 1.314 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Prostaglandine F2A, benzeneboronate. Prostaglandine F3A, benzeneboronate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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