Cas no 38966-29-9 (5'-Inosinicacid, calcium salt (1:?))
38966-29-9 structure
Product Name:5'-Inosinicacid, calcium salt (1:?)
CAS No:38966-29-9
MF:C10H11CaN4O8P
MW:386.268101930618
CID:293275
PubChem ID:135565141
Update Time:2025-04-19
5'-Inosinicacid, calcium salt (1:?) Chemical and Physical Properties
Names and Identifiers
-
- 5'-Inosinicacid, calcium salt (1:?)
- CALCIUM 5-INOSINATE
- calcium,[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate
- 5'-Inosinicacid, calcium salt (9CI)
- Calcium inosinate
- UNII-DE2I245H9C
- 38966-29-9
- SCHEMBL1030877
- Q725037
- 5'-Inosinic acid, calcium salt (1:1)
- 3387-37-9
- INS-633
- Calcium 5'-O-phosphonatoinosine
- 5'-Inosinicacid,calcium salt
- Ins No.633
- Inosinic acid, calcium salt
- Calcium 5'-inosinate
- DE2I245H9C
- inosine monophosphate calcium
- E-633
- Calcium inosine-5'-monophosphate
- calcium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate
- DTXSID00628642
-
- Inchi： 1S/C10H13N4O8P.Ca/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);/q;+2/p-2/t4-,6-,7-,10-;/m1./s1
- InChI Key： ZLHWLLPKQPKYJD-MCDZGGTQSA-L
- SMILES： [Ca+2].P(=O)([O-])([O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC=NC2=3)=O)O1)O)O
Computed Properties
- Exact Mass: 385.9940412g/mol
- Monoisotopic Mass: 385.9940412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 544
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 181?2
Experimental Properties
- PSA: 195.75000
- LogP: -0.86320
5'-Inosinicacid, calcium salt (1:?) Related Literature
-
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
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
Related Categories
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleoside monophosphates
- Solvents and Organic Chemicals Organic Compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside monophosphates
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