Chemical Properties of 7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

PDF Excel Molecule Calculator
InChI
InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31)
InChI Key
DHPRQBPJLMKORJ-UHFFFAOYSA-N
Formula
C22H23ClN2O8
SMILES
CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12
Molecular Weight1
478.88
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
ΔfG° -542.24 kJ/mol Joback Calculated Property
ΔfH°gas -1113.05 kJ/mol Joback Calculated Property
ΔfusH° 59.71 kJ/mol Joback Calculated Property
ΔvapH° 180.77 kJ/mol Joback Calculated Property
log10WS -2.94 Rytting...
logPoct/wat 0.282 Crippen Calculated Property
McVol 322.160 ml/mol McGowan Calculated Property
Pc 2890.51 kPa Joback Calculated Property
Tboil 1543.06 K Joback Calculated Property
Tc 1999.69 K Joback Calculated Property
Tfus 1210.36 K Joback Calculated Property
Vc 1.131 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1686.87; 2955.15] J/mol×K [1543.06; 1999.69] Show Hide
Cp,gas 1686.87 J/mol×K 1543.06 Joback Calculated Property
Cp,gas 1833.67 J/mol×K 1619.16 Joback Calculated Property
Cp,gas 2003.21 J/mol×K 1695.27 Joback Calculated Property
Cp,gas 2197.81 J/mol×K 1771.37 Joback Calculated Property
Cp,gas 2419.78 J/mol×K 1847.48 Joback Calculated Property
Cp,gas 2671.46 J/mol×K 1923.58 Joback Calculated Property
Cp,gas 2955.15 J/mol×K 1999.69 Joback Calculated Property

Similar Compounds

Nalmefene. 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 7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide.

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.