Chemical Properties of 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl-, tetramethyl ester (CAS 25767-20-8)

21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl-, tetramethyl ester

InChI
InChI=1S/C40H46N4O8/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33/h17-20,41,44H,9-16H2,1-8H3/b29-17-,30-18-,31-19-,32-20-,33-18-,34-17-,35-20-,36-19-
InChI Key
OVYASYKFNWTMII-QEMHYRKZSA-N
Formula
C40H46N4O8
SMILES
COC(=O)CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)C(C)=C4CCC(=O)OC)c(C)c3CCC(=O)OC
Molecular Weight1
710.82
CAS
25767-20-8
Other Names
  • 2,7,12,17-Porphinetetrapropionic acid, 3,8,13,18-tetramethyl-, tetramethyl ester
  • Coproporphyrin I tetramethyl ester
  • Coproporphyrin tetramethyl ester i
  • Tetramethyl 3,8,13,18-tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionate
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Physical Properties

Property Value Unit Source
ω 1.5567 Relay (1.0) Calculated Property
ΔcH°solid -20834.00 ± 21.00 kJ/mol NIST
ΔfG° -152.80 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1164.86 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 233.30 kJ/mol Relay (1.0) Calculated Property
IE 6.65 eV Relay (1.0) Calculated Property
log10WS -7.48 Relay (1.0) Calculated Property
logPoct/wat 5.947 Crippen Calculated Property
McVol 542.540 ml/mol McGowan Calculated Property
Tboil 942.52 K Relay (1.0) Calculated Property
Tc 1371.36 K Relay (1.0) Calculated Property
Tfus 628.28 K Relay (1.0) Calculated Property
Vc 1.960 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Mesoporphyrin ix dimethyl ester. Rhodoporphyrin-XV dimethyl ester, bis(trimethylsyloxy)silicon(IV) derivative. Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative. 5,6-Dihydrouracil riboside, TMS. Methyldesorphine. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Nicocodine. Xanthine riboside, TMS. QUINIDINE, M(HO-), AC. Deserpidine. Buprenorphine. Thebaine. Prajmaline. Norcodeine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate].

Find more compounds similar to 21H,23H-Porphine-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetramethyl-, tetramethyl ester.

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