17499-98-8
BACTERIOCHLOROPHYLL
Name
BACTERIOCHLOROPHYLL
Formula
C55 H74 Mg N4 O6
MolWeight
911.517
1Identification
【Name】
BACTERIOCHLOROPHYLL
【CAS】
【MDL】
MFCD00078976
【English Synonyms】
【Formula】
C55 H74 Mg N4 O6
【MolWeight】
911.517
【Inchi】
InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1
【InChIKey】
InChIKey=DSJXIQQMORJERS-AGGZHOMASA-M
【SMILES】
CC[C@H]1/c/2c/c3c(c4c/5n3[Mg]n\6/c(c\c7n/c(c5/[C@H](C4=O)C(=O)OC)/[C@H]([C@@H]7C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)/c(c(/c6c/c(n2)[C@@H]1C)C(=O)C)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BACTERIOCHLOROPHYLL.cml
Quick Release
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