Chemical Properties of Mesoporphyrin ix dimethyl ester (CAS 1263-63-4)

Mesoporphyrin ix dimethyl ester

InChI
InChI=1S/C36H42N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h15-18,37,40H,9-14H2,1-8H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18-
InChI Key
LUUYUVIPWOKSNM-MFBGAUBSSA-N
Formula
C36H42N4O4
SMILES
CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)C(CCC(=O)OC)=C4C)c(C)c3CC
Molecular Weight1
594.74
CAS
1263-63-4
Other Names
  • 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester
  • Mesoporphyrin dimethyl ester
  • 2,18-Porphinedipropionic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester
  • Dimethyl 8,13-diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
  • dimethyl 7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
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Physical Properties

Property Value Unit Source
ω 1.2921 Relay (1.0) Calculated Property
ΔcH°solid -19345.00 kJ/mol NIST
ΔfG° 162.24 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -515.19 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 209.19 kJ/mol Relay (1.0) Calculated Property
IE 6.35 eV Relay (1.0) Calculated Property
log10WS -7.90 Relay (1.0) Calculated Property
logPoct/wat 6.860 Crippen Calculated Property
McVol 471.300 ml/mol McGowan Calculated Property
Tboil 884.44 K Relay (1.0) Calculated Property
Tc 1325.60 K Relay (1.0) Calculated Property
Tfus 602.05 K Relay (1.0) Calculated Property
Vc 1.712 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl-, tetramethyl ester. Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative. Rhodoporphyrin-XV dimethyl ester, bis(trimethylsyloxy)silicon(IV) derivative. 5,6-Dihydrouracil riboside, TMS. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. 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.

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