Chemical Properties of 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS

5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS

InChI
InChI=1S/C41H79NO7Si4/c1-27(32-19-20-33-31-18-17-29-25-30(47-51(8,9)10)21-23-40(29,3)34(31)22-24-41(32,33)4)45-39-36(42-28(2)43)38(49-53(14,15)16)37(48-52(11,12)13)35(46-39)26-44-50(5,6)7/h17,27,30-39H,18-26H2,1-16H3,(H,42,43)/t27-,30+,31?,32+,33?,34?,35-,36-,37-,38-,39-,40-,41+/m1/s1
InChI Key
IHXNCGCWSBPANW-IVIGLZASSA-N
Formula
C41H79NO7Si4
SMILES
CC(=O)NC1C(OC(C)C2CCC3C4CC=C5CC(O[Si](C)(C)C)CCC5(C)C4CCC23C)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
Molecular Weight1
810.41
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Physical Properties

Property Value Unit Source
ω 0.9797 Relay (1.0) Calculated Property
ΔfG° -240.32 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1854.76 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 156.95 kJ/mol Relay (1.0) Calculated Property
IE 8.28 eV Relay (1.0) Calculated Property
log10WS -6.97 Relay (1.0) Calculated Property
logPoct/wat 9.712 Crippen Calculated Property
Pc -1563.30 kPa Relay (1.0-beta) Calculated Property
Inp 4383.00 NIST
Tboil 825.77 K Relay (1.0) Calculated Property
Tc 1117.76 K Relay (1.0) Calculated Property
Tfus 416.41 K Relay (1.0) Calculated Property
Vc 2.539 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. 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 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS.

Sources

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