alpha,beta,beta,gamma-Dimethylenedeoxythymidine 5'-triphosphate structure

alpha,beta,beta,gamma-Dimethylenedeoxythymidine 5'-triphosphate

[hydroxy-[[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methyl]phosphoryl]methylphosphonic acid

Also Known As: Abbg-DM-DTTP|alpha,beta,beta,gamma-2CH2-Dttp|alpha,beta,beta,gamma-Dimethylenedeoxythymidine 5'-triphosphate|[hydroxy-[[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methyl]phosphoryl]methylphosphonic acid|Alpha Beta, Beta Gamma-dimethylenedeoxythymidine 5'-triphosphate|5'-O-(Hydroxy{[hydroxy(phosphonomethyl)phosphoryl]methyl}phosphoryl)thymidine|Thymidine, 5'-(hydrogen ((hydroxy(phosphonomethyl)phosphinyl)methyl)phosphonate)

CAS: 90094-77-2
Molecular Formula C12H21N2O12P3
Molecular Weight 478.03073 g/mol
LogP -5.3
Topological Polar Surface Area 220.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
Rotatable Bonds 8
Exact Mass 478.03073
Monoisotopic Mass 478.03073
Heavy Atoms 29
Complexity 853.0

Chemical Identifiers

CAS Number 90094-77-2
SMILES CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(CP(=O)(O)O)O)O)O
InChIKey DVKBIMGKKMGCPD-IVZWLZJFSA-N

Product Overview

alpha,beta,beta,gamma-Dimethylenedeoxythymidine 5'-triphosphate (CAS 90094-77-2), with molecular formula C12H21N2O12P3 and molecular weight 478.03073 g/mol. IUPAC: [hydroxy-[[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methyl]phosphoryl]methylphosphonic acid.

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