Chemical Properties of 3-«alpha»,4-«beta»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«alpha»-cholanoic acid, MeTMS

3-«alpha»,4-«beta»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«alpha»-cholanoic acid, MeTMS

InChI
InChI=1S/C37H74O6Si4/c1-25(17-20-33(38)39-4)26-18-19-27-34-28(24-32(37(26,27)3)42-46(11,12)13)36(2)22-21-30(40-44(5,6)7)35(43-47(14,15)16)29(36)23-31(34)41-45(8,9)10/h25-32,34-35H,17-24H2,1-16H3/t25-,26-,27?,28?,29+,30-,31-,32+,34?,35-,36-,37-/m0/s1
InChI Key
QKSYQONADMPPHH-HEPCSLPDSA-N
Formula
C37H74O6Si4
SMILES
COC(=O)CCC(C)C1CCC2C3C(O[Si](C)(C)C)CC4C(O[Si](C)(C)C)C(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C
Molecular Weight1
727.32
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Physical Properties

Property Value Unit Source
ω 0.9311 Relay (1.0) Calculated Property
ΔfG° -287.12 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1729.35 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 133.29 kJ/mol Relay (1.0) Calculated Property
IE 8.80 eV Relay (1.0) Calculated Property
log10WS -7.16 Relay (1.0) Calculated Property
logPoct/wat 9.945 Crippen Calculated Property
Inp [3436.00; 3436.00]   Show Hide
Inp 3436.00 NIST
Inp 3436.00 NIST
Tboil 756.94 K Relay (1.0) Calculated Property
Tc 1030.59 K Relay (1.0) Calculated Property
Tfus 368.42 K Relay (1.0) Calculated Property
Vc 2.317 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3«beta»,4«beta»,7«alpha»,12«alpha»-tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 5-«beta»-Cholanoic acid, 3-«alpha»,4-«beta»,7-«alpha»,12-«alpha»-tetrahydroxy, methyl ester, TMS. 3«alpha»,4«beta»,7«alpha»,12«alpha»-tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 3«alpha»,6«alpha»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanic acid, methyl ester, TMS. 3«alpha»,6«alpha»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, trimethylsilyl ether-methyl ester. 3«alpha»,6«beta»,7«beta»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether. 5-«alpha»-Cholanoic acid, 3-«alpha»-6-«alpha»,7-«alpha»,12-«alpha»-tetrahydroxy, methyl ester, TMS. 3«alpha»,6«alpha»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether. 3«alpha»,6«beta»,7«alpha»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, MeTMS. 3«alpha»,6«beta»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, MeTMS. 3-«beta»,6-«alpha»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«beta»-cholanoic acid, MeTMS. 3«alpha»,6«beta»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, MeTMS. 5-«beta»-Cholanoic acid, 3-«alpha»,4-«beta»,12-«alpha»-trihydroxy, methyl ester, TMS. 3«alpha»,4«beta»,12«alpha»-trihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 3«beta»,4«beta»,12«alpha»-trihydroxy-5«beta»-cholanoic acid acid, methyl ester-trimethylsilyl-ether derivative.

Find more compounds similar to 3-«alpha»,4-«beta»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«alpha»-cholanoic acid, MeTMS.

Sources

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