Chemical Properties of 2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol di-p-toluenesulfonate (CAS 10405-52-4)

2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol di-p-toluenesulfonate

InChI
InChI=1S/C25H29NO8S3/c1-19-5-11-22(12-6-19)35(27,28)26-25(4,17-33-36(29,30)23-13-7-20(2)8-14-23)18-34-37(31,32)24-15-9-21(3)10-16-24/h5-16,26H,17-18H2,1-4H3
InChI Key
KFKHTTSOQOFXGU-UHFFFAOYSA-N
Formula
C25H29NO8S3
SMILES
Cc1ccc(S(=O)(=O)NC(C)(COS(=O)(=O)c2ccc(C)cc2)COS(=O)(=O)c2ccc(C)cc2)cc1
Molecular Weight1
567.70
CAS
10405-52-4
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Physical Properties

Property Value Unit Source
ω 1.1154 Relay (1.0) Calculated Property
ΔfG° -1055.43 kJ/mol Joback Calculated Property
ΔfH°gas -1073.50 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 75.66 kJ/mol Joback Calculated Property
ΔvapH° 173.45 kJ/mol Relay (1.0) Calculated Property
IE 8.01 eV Relay (1.0) Calculated Property
log10WS -5.31 Relay (1.0) Calculated Property
logPoct/wat 3.460 Crippen Calculated Property
McVol 397.820 ml/mol McGowan Calculated Property
Pc 2053.03 kPa Joback Calculated Property
Tboil 830.20 K Relay (1.0) Calculated Property
Tc 1153.22 K Relay (1.0) Calculated Property
Tfus 392.85 K Relay (1.0) Calculated Property
Vc 1.407 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1233.49; 1254.24] J/mol×K [1101.50; 1348.82] Show Hide
Cp,gas 1248.90 J/mol×K 1101.50 Joback Calculated Property
Cp,gas 1252.90 J/mol×K 1142.72 Joback Calculated Property
Cp,gas 1254.24 J/mol×K 1183.94 Joback Calculated Property
Cp,gas 1252.94 J/mol×K 1225.16 Joback Calculated Property
Cp,gas 1249.02 J/mol×K 1266.38 Joback Calculated Property
Cp,gas 1242.53 J/mol×K 1307.60 Joback Calculated Property
Cp,gas 1233.49 J/mol×K 1348.82 Joback Calculated Property

Similar Compounds

2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol acetate p-toluenesulfonate. N-1-[1,1-bis(p-toluenesulfonoxymethyl)propyl]-p-toluenesulfonamide. Betamethasone tetra-TMS. Senecionine. Usaramine. Integerrimine. Gynuramine. 9-Angeloylanacrotine. Retrorsine. Retrorcine. 3'-trans-cinnamoylindicine. 3'-cis-cinnamoylindicine. Thymidine, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl.

Find more compounds similar to 2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol di-p-toluenesulfonate.

Sources

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