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
ΔfusH° 55.90 kJ/mol Joback 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 1657.84 kPa Joback Calculated Property
Tboil 753.71 K Relay (1.0) Calculated Property
Tc 1087.20 K Relay (1.0) Calculated Property
Tfus 383.38 K Relay (1.0) Calculated Property
Vc 1.140 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1035.83; 1060.74] J/mol×K [1136.11; 1401.36] Show Hide
Cp,gas 1035.83 J/mol×K 1136.11 Joback Calculated Property
Cp,gas 1042.96 J/mol×K 1180.32 Joback Calculated Property
Cp,gas 1048.72 J/mol×K 1224.53 Joback Calculated Property
Cp,gas 1053.24 J/mol×K 1268.73 Joback Calculated Property
Cp,gas 1056.65 J/mol×K 1312.94 Joback Calculated Property
Cp,gas 1059.11 J/mol×K 1357.15 Joback Calculated Property
Cp,gas 1060.74 J/mol×K 1401.36 Joback Calculated Property

Similar Compounds

Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Benzylmorphine. Ethylmorphine, trimethylsilyl ether. 3-O,6-O,N-Triacetylnormorphine. OXYCOLCHICINE. Hydromorphone, tert-butyldimethylsilyl ether. PACLITAXEL. Nicocodine. ERGOCRYPTINE. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. Dehydrojaconine. Hydromorphone, trimethylsilyl ether. Ergocristine. DIHYDROERGOTAMINE. BUPRENORPHINE.

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

Sources

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