Chemical Properties of L(-)-3-benzoylamino-4-benzoylmercapto-1-butanol benzoate (CAS 10357-55-8)

L(-)-3-benzoylamino-4-benzoylmercapto-1-butanol benzoate

InChI
InChI=1S/C25H23NO4S/c27-23(19-10-4-1-5-11-19)26-22(18-31-25(29)21-14-8-3-9-15-21)16-17-30-24(28)20-12-6-2-7-13-20/h1-15,22H,16-18H2,(H,26,27)
InChI Key
TYKGHWYHOPGIRA-UHFFFAOYSA-N
Formula
C25H23NO4S
SMILES
O=C(NC(CCOC(=O)c1ccccc1)CSC(=O)c1ccccc1)c1ccccc1
Molecular Weight1
433.52
CAS
10357-55-8
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Physical Properties

Property Value Unit Source
ω 0.9140 Relay (1.0) Calculated Property
ΔfG° 125.16 kJ/mol Joback Calculated Property
ΔfH°gas -380.24 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 54.32 kJ/mol Joback Calculated Property
ΔvapH° 149.88 kJ/mol Relay (1.0) Calculated Property
IE 8.77 eV Relay (1.0) Calculated Property
log10WS -5.35 Relay (1.0) Calculated Property
logPoct/wat 4.606 Crippen Calculated Property
McVol 328.740 ml/mol McGowan Calculated Property
Pc 1714.61 kPa Joback Calculated Property
Tboil 753.71 K Relay (1.0) Calculated Property
Tc 1085.88 K Relay (1.0) Calculated Property
Tfus 385.85 K Relay (1.0) Calculated Property
Vc 1.140 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1040.72; 1068.53] J/mol×K [1153.98; 1421.64] Show Hide
Cp,gas 1040.72 J/mol×K 1153.98 Joback Calculated Property
Cp,gas 1048.14 J/mol×K 1198.59 Joback Calculated Property
Cp,gas 1054.27 J/mol×K 1243.20 Joback Calculated Property
Cp,gas 1059.23 J/mol×K 1287.81 Joback Calculated Property
Cp,gas 1063.16 J/mol×K 1332.42 Joback Calculated Property
Cp,gas 1066.22 J/mol×K 1377.03 Joback Calculated Property
Cp,gas 1068.53 J/mol×K 1421.64 Joback Calculated Property

Similar Compounds

Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. 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.

Find more compounds similar to L(-)-3-benzoylamino-4-benzoylmercapto-1-butanol benzoate.

Sources

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