Cas no 128146-77-0 (3-Phorbinepropanoicacid,14-ethyl-9-[1-(hexyloxy)ethyl]-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,methyl ester, (3S,4S,21R)-)

3-Phorbinepropanoicacid,14-ethyl-9-[1-(hexyloxy)ethyl]-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,methyl ester, (3S,4S,21R)- structure
128146-77-0 structure
Product Name:3-Phorbinepropanoicacid,14-ethyl-9-[1-(hexyloxy)ethyl]-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,methyl ester, (3S,4S,21R)-
CAS No:128146-77-0
MF:C42H52N4O6
MW:708.885491371155
CID:168100
PubChem ID:164253
Update Time:2025-04-19

3-Phorbinepropanoicacid,14-ethyl-9-[1-(hexyloxy)ethyl]-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,methyl ester, (3S,4S,21R)- Chemical and Physical Properties

Names and Identifiers

    • 3-Phorbinepropanoicacid,14-ethyl-9-[1-(hexyloxy)ethyl]-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,methyl ester, (3S,4S,21R)-
    • 3-Phorbinepropanoicacid,14-ethyl-9-[1-(hexyloxy)ethyl]-21-(methoxycarbonyl)-4,8,13,18-tetramet...
    • methylpheophorbide-a-(hexyl-ether)
    • MP-A-6E
    • 3-Phorbinepropanoic acid, 14-ethyl-9-(1-(hexyloxy)ethyl)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, methyl ester
    • methyl (3S,4S,21R)-14-ethyl-9-[1-(hexyloxy)ethyl]-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxo-24,25-dihydrophorbine-21-carboxylate
    • Methyl 14-ethyl-9-(1-(hexyloxy)ethyl)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoate
    • Methyl (3R,21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate
    • CHEMBL358765
    • 128146-77-0
    • Inchi： 1S/C42H52N4O6/c1-10-12-13-14-17-52-25(7)35-23(5)30-18-29-22(4)27(15-16-34(47)50-8)39(45-29)37-38(42(49)51-9)41(48)36-24(6)31(46-40(36)37)19-32-26(11-2)21(3)28(43-32)20-33(35)44-30/h18-20,22,25,27,38,45,48H,10-17H2,1-9H3/b29-18-,32-19-,33-20-,39-37-/t22-,25?,27-,38+/m0/s1
    • InChI Key： OBPWZPBWNINZPI-DYPWUDEWSA-N
    • SMILES： OC1=C2C(C)=C3C=C4C(CC)=C(C)C(C=C5C(C(C)OCCCCCC)=C(C)C(C=C6[C@@H](C)[C@H](CCC(=O)OC)C(=C(C2=N3)[C@H]1C(=O)OC)N6)=N5)=N4 |t:6,14,29,40|

Computed Properties

  • Exact Mass: 706.3733
  • Monoisotopic Mass: 708.388685
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 14
  • Complexity: 1250
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 1001
  • XLogP3: 7.1
  • Topological Polar Surface Area: 136

Experimental Properties

  • Density: 1.24
  • Boiling Point: 961.3°Cat760mmHg
  • Flash Point: 535.2°C
  • Refractive Index: 1.6
  • PSA: 130.46

3-Phorbinepropanoicacid,14-ethyl-9-[1-(hexyloxy)ethyl]-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,methyl ester, (3S,4S,21R)- Related Literature

128146-77-0 (3-Phorbinepropanoicacid,14-ethyl-9-[1-(hexyloxy)ethyl]-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-,methyl ester, (3S,4S,21R)-) Related Products

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