Cas no 35002-94-9 (Thymidine,P-methylthymidylyl-(3'®5')-)
35002-94-9 structure
Product Name:Thymidine,P-methylthymidylyl-(3'®5')-
CAS No:35002-94-9
MF:C21H29N4O12P
MW:560.448326826096
CID:313769
PubChem ID:189096
Update Time:2025-04-19
Thymidine,P-methylthymidylyl-(3'®5')- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Cycloheptatriene-1-thione,2-mercapto
- 2,4,6-Cycloheptatriene-1-thione, 2-mercapto-
- 2-Mercaptocycloheptatrienthion
- 2-Sulfanyl-2,4,6-cycloheptatriene-1-thione
- AC1LC1YZ
- CTK0I9371
- Dithiotropolon
- dithymidyl (3'-5') O-methyl phosphite
- dithymidylyl-3',5'-O-methyl phosphate
- P-methyl-thymidylyl-(3'-> 5')-thymidine
- thymidine 3'-[thymidine 5'-(methyl phosphate)]
- thymidylyl-(3'-(methyl)5')-thymidine
- CHEMBL3608396
- Methyl phosphotriester of thymidylyl-(3'-5')-thymidine
- 35002-94-9
- Thymidine, P-methylthymidylyl-(3'-5')-
- Thymidylyl-(3'-5')-thymidine methyl phosphotriester
- [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methyl phosphate
- Thymidine,P-methylthymidylyl-(3'®5')-
-
- Inchi： 1S/C21H29N4O12P/c1-10-6-24(20(30)22-18(10)28)16-4-12(27)15(36-16)9-34-38(32,33-3)37-13-5-17(35-14(13)8-26)25-7-11(2)19(29)23-21(25)31/h6-7,12-17,26-27H,4-5,8-9H2,1-3H3,(H,22,28,30)(H,23,29,31)/t12-,13-,14+,15+,16+,17+,38?/m0/s1
- InChI Key： LGTAFJPHILMIHG-UGHUSNSZSA-N
- SMILES： P(=O)(OC)(OC[C@@H]1[C@H](C[C@H](N2C(NC(C(C)=C2)=O)=O)O1)O)O[C@@H]1[C@@H](CO)O[C@H](C1)N1C(NC(C(C)=C1)=O)=O
Computed Properties
- Exact Mass: 560.152
- Monoisotopic Mass: 560.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 38
- Rotatable Bond Count: 9
- Complexity: 1110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.6
- Topological Polar Surface Area: 203?2
Experimental Properties
- Density: 1.58
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.621
- PSA: 223.73000
- LogP: -0.38730
Thymidine,P-methylthymidylyl-(3'®5')- Related Literature
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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