Cas no 3372-09-6 (5'-Thymidylic acid,calcium salt (1:1) (7CI,8CI,9CI))
3372-09-6 structure
Product Name:5'-Thymidylic acid,calcium salt (1:1) (7CI,8CI,9CI)
CAS No:3372-09-6
MF:C10H13CaN2O8P
MW:360.270582914352
CID:295459
PubChem ID:53384605
Update Time:2025-04-19
5'-Thymidylic acid,calcium salt (1:1) (7CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5'-Thymidylic acid,calcium salt (1:1) (7CI,8CI,9CI)
- dTMP Ca
- THYMIDINE 5'-MONOPHOSPHATE CALCIUM SALT
- Thymidine 5'-phosphatecalcium salt
- Thymidylicacidcalciumsalt
- Calcium ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl phosphate
- 3372-09-6
- 5'-Thymidylic acid calcium salt
-
- Inchi： 1S/C10H15N2O8P.Ca/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);/q;+2/p-2/t6-,7+,8+;/m0./s1
- InChI Key： BIFTVWGSQNJZPP-HNPMAXIBSA-L
- SMILES： [Ca+2].P(=O)([O-])([O-])OC[C@@H]1[C@H](C[C@H](N2C(NC(C(C)=C2)=O)=O)O1)O
Computed Properties
- Exact Mass: 360.00400
- Monoisotopic Mass: 360.0035432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 521
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 4
- XLogP3: -2.2
- Topological Polar Surface Area: 187
Experimental Properties
- Color/Form: Not determined
- PSA: 166.55000
- LogP: -0.52090
- Solubility: Not determined
5'-Thymidylic acid,calcium salt (1:1) (7CI,8CI,9CI) Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
3372-09-6 (5'-Thymidylic acid,calcium salt (1:1) (7CI,8CI,9CI)) Related Products
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