Cas no 109430-98-0 (5'-Cytidylic acid,mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester, (R)- (9CI))
![5'-Cytidylic acid,mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester, (R)- (9CI) structure](https://ossimg.kuujia.com/scimg/109500/109430-98-0x500.png)
109430-98-0 structure
Product Name:5'-Cytidylic acid,mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester, (R)- (9CI)
CAS No:109430-98-0
MF:C44H80N3O12P
MW:874.092675209045
CID:206967
PubChem ID:194817
Update Time:2025-04-19
5'-Cytidylic acid,mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5'-Cytidylic acid,mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester, (R)- (9CI)
- 5'-phosphatidylcytidine
- 5'-O-[{[(2R)-2,3-bis(hexadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]cytidine
- [(2R)-3-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
- 109430-98-0
- 5/'-Phosphatidylcytidine
- DTXSID00911162
- 1-(5-O-{[2,3-Bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}pentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol
-
- Inchi： 1S/C44H80N3O12P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)55-33-36(58-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-56-60(53,54)57-35-37-41(50)42(51)43(59-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1
- InChI Key： FSGOTRMUMPHHJV-BQUKFSKHSA-N
- SMILES： P(=O)(O)(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)N)=O)O1)O)O
Computed Properties
- Exact Mass: 873.5483
- Monoisotopic Mass: 873.548
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 60
- Rotatable Bond Count: 40
- Complexity: 1290
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11.6
- Topological Polar Surface Area: 217?2
Experimental Properties
- Density: 1.2
- Boiling Point: 896.1°Cat760mmHg
- Flash Point: 495.7°C
- Refractive Index: 1.542
- PSA: 216.74
5'-Cytidylic acid,mono[2,3-bis[(1-oxohexadecyl)oxy]propyl] ester, (R)- (9CI) Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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