Chemical Properties of pimaricin

pimaricin

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InChI
InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)
InChI Key
NCXMLFZGDNKEPB-UHFFFAOYSA-N
Formula
C33H47NO13
SMILES
CC1CC=CC=CC=CC=CC(OC2OC(C)C(O)C(N)C2O)CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O
Molecular Weight1
665.73
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Physical Properties

Property Value Unit Source
ΔfG° -1184.47 kJ/mol Joback Calculated Property
ΔfH°gas -2258.12 kJ/mol Joback Calculated Property
ΔfusH° 102.03 kJ/mol Joback Calculated Property
ΔvapH° 231.87 kJ/mol Joback Calculated Property
log10WS -3.21 Aq. Sol...
logPoct/wat 0.120 Crippen Calculated Property
McVol 488.580 ml/mol McGowan Calculated Property
Pc 1306.12 kPa Joback Calculated Property
Tboil 1902.20 K Joback Calculated Property
Tc 3017.66 K Joback Calculated Property
Tfus 1136.13 K Joback Calculated Property
Vc 1.712 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [-2027.73; 1360.83] J/mol×K [1902.20; 3017.66] Show Hide
Cp,gas 1360.83 J/mol×K 1902.20 Joback Calculated Property
Cp,gas 1008.69 J/mol×K 2088.11 Joback Calculated Property
Cp,gas 570.68 J/mol×K 2274.02 Joback Calculated Property
Cp,gas 47.41 J/mol×K 2459.93 Joback Calculated Property
Cp,gas -560.49 J/mol×K 2645.84 Joback Calculated Property
Cp,gas -1252.41 J/mol×K 2831.75 Joback Calculated Property
Cp,gas -2027.73 J/mol×K 3017.66 Joback Calculated Property

Similar Compounds

5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. Ethylmorphine, trimethylsilyl ether. 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. Ergocristine. Codeine-propionyl.

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Sources

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