15664-29-6
PHEOPHORBIDE A
Name
PHEOPHORBIDE A
Formula
C35 H36 N4 O5
MolWeight
592.692
1Identification
【Name】
PHEOPHORBIDE A
【CAS】
【MDL】
MFCD00210345
【English Synonyms】
【Formula】
C35 H36 N4 O5
【MolWeight】
592.692
【Inchi】
InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1
【InChIKey】
InChIKey=NSFSLUUZQIAOOX-QEWKCGBTSA-N
【SMILES】
CCC1=C(/c/2c/c3c(c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)O)C)C=C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
PHEOPHORBIDE A.cml
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