Chemical Properties of pimaricin

pimaricin

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 1.2593 Relay (1.0) Calculated Property
ΔfG° -1184.47 kJ/mol Joback Calculated Property
ΔfH°gas -2169.79 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 102.03 kJ/mol Joback Calculated Property
ΔvapH° 260.91 kJ/mol Relay (1.0) Calculated Property
IE 7.61 eV Relay (1.0) Calculated Property
log10WS -3.21 Aq. Solubility Prediction
logPoct/wat 0.120 Crippen Calculated Property
McVol 488.580 ml/mol McGowan Calculated Property
Pc 1306.12 kPa Joback Calculated Property
Tboil 946.57 K Relay (1.0) Calculated Property
Tc 1318.49 K Relay (1.0) Calculated Property
Tfus 550.74 K Relay (1.0) Calculated Property
Vc 1.635 m3/kmol Relay (1.0) 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. 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 pimaricin.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.