Cas no 14428-12-7 (Chlorophyll b; 3'-Free acid)
Chlorophyll b; 3'-Free acid structure
Product Name:Chlorophyll b; 3'-Free acid
CAS No:14428-12-7
MF:C35H32MgN4O6
MW:628.956789016724
CID:169435
Update Time:2024-02-29
Chlorophyll b; 3'-Free acid Chemical and Physical Properties
Names and Identifiers
-
- Magnesate(1-),[(3S,4S,21R)-9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(3-)-kN23,kN24,kN25,kN26]-, hydrogen (1:1), (SP-4-2)-
- Chlorophyllide b
- Magnesate(1-), (9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3-phorbinepropanoato(3-)-N23,N24,N25,N26)-, hydrogen, (SP-4-2-(3S-(3alpha,4beta,21beta)))-
- magnesium hydrogen 3-[9-ethenyl-14-ethyl-13-formyl-21-(methoxycarbonyl)-4,8,18-trimethyl-20-oxido-23,25-didehydro-4,21-dihydro-3H-phorbin-23-id-3-yl]propanoate
- CID 135770373
- Chlorophyll b; 3'-Free acid
-
- Inchi： 1S/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1,8-10H2,2-6H3,(H3,36,37,38,39,40,41,42,43);/q;+2/p-2
- InChI Key： QPDWBRHRBKXUNS-UHFFFAOYSA-L
- SMILES： [Mg+2].O=C1C2=C(C)C3=CC4=C(CC)/C(=C/[O-])/C(C=C5C(C=C)=C(C)C(C=C6C(C)C(CCC(=O)[O-])C(C(=C2[N-]3)C1C(=O)OC)=N6)=N5)=N4.[H+] |t:5,15,23|
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 46
- Rotatable Bond Count: 6
- Complexity: 1860
- Topological Polar Surface Area: 145
- XLogP3: 2.028
Chlorophyll b; 3'-Free acid Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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