Cas no 15435-60-6 (21H,23H-Porphine-2,7,12,18-tetrapropanoicacid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, 2,7,12,18-tetramethyl ester)

21H,23H-Porphine-2,7,12,18-tetrapropanoicacid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, 2,7,12,18-tetramethyl ester structure
15435-60-6 structure
Product Name:21H,23H-Porphine-2,7,12,18-tetrapropanoicacid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, 2,7,12,18-tetramethyl ester
CAS No:15435-60-6
MF:C48H54N4O16
MW:942.959574222565
MDL:MFCD00058738
CID:180715
PubChem ID:57654719
Update Time:2024-11-01

21H,23H-Porphine-2,7,12,18-tetrapropanoicacid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, 2,7,12,18-tetramethyl ester Chemical and Physical Properties

Names and Identifiers

    • 21H,23H-Porphine-2,7,12,18-tetrapropanoicacid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, 2,7,12,18-tetramethyl ester
    • 21H,23H-Porphine-2,7,12,18-tetrapropanoicacid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, 2,7,...
    • UROPORPHYRIN III OCTAMETHYL ESTER
    • 3,3',3'',3'''-(3,8,13,17-Tetrakis-methoxycarbonylmethyl-porphyrin-2,7,12,18-tetrayl)-tetra-propionsaeure-tetramethylester
    • 3,8,13,17-Tetrakis[(methoxycarbonyl)methyl]-21H,23H-porphyrin-2,7,12,18-tetrakis(propanoic acid methyl) ester
    • tetramethyl 3,8,13,17-tetraki
    • uroporphyrin II octamethyl ester
    • Uroporphyrin III-methylester
    • Einecs 239-447-3
    • UROPORPHYRIN III OCTAMETHYL ESTER*SYNTHE TIC
    • tetramethyl 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-21H,23H-porphine-2,7,12,18-tetrapropionate
    • 3,8,13,17-Tetrakis(2-methoxy-2-oxoethyl)-21H,23H-porphyrin-2,7,12,18-tetrapropanoic acid tetramethyl ester
    • 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, tetramethyl ester
    • 23h-porphine-2,7,12,18-tetrapropanoicacid,3,8,13,17-tetrakis(2-methoxy-2-21
    • 21H,23H-Porphine-2,7,12,18-tetrapropanoic acid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, 2,7,12,18-tetramethyl ester
    • MDL: MFCD00058738
    • Inchi: 1S/C48H54N4O16/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-35-27(11-15-43(55)63-3)30(18-46(58)66-6)38(51-35)23-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)24-39-31(19-47(59)67-7)26(10-14-42(54)62-2)34(50-39)21-33(25)49-37/h21-24,49,51H,9-20H2,1-8H3/b33-21-,34-21-,35-22-,36-23-,37-22-,38-23-,39-24-,40-24-
    • InChI Key: UPRSDHFCTQLTGV-OJKAWOKHSA-N
    • SMILES: C12=CC3=NC(=CC4NC(=C(CC(=O)OC)C=4CCC(=O)OC)C=C4C(CCC(=O)OC)=C(CC(=O)OC)C(N4)=CC(C(CCC(=O)OC)=C1CC(=O)OC)=N2)C(CCC(=O)OC)=C3CC(=O)OC |c:4,t:0,23,40|

Computed Properties

  • Exact Mass: 942.35300
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 68
  • Rotatable Bond Count: 28
  • Complexity: 1640
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 268

Experimental Properties

  • Color/Form: Not available
  • PSA: 266.70000
  • LogP: 1.23890
  • Solubility: Not available

21H,23H-Porphine-2,7,12,18-tetrapropanoicacid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, 2,7,12,18-tetramethyl ester Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319
  • Warning Statement: P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Storage Condition:?20°C
  • Risk Phrases:R36/38

21H,23H-Porphine-2,7,12,18-tetrapropanoicacid, 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-, 2,7,12,18-tetramethyl ester Pricemore >>

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