3'-Deoxy-3'-aminothymidine-5'triphosphate
Basic information
- CAS
90053-16-0- Standard SMILES
Cc1cn([C@H]2C[C@H](N)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
FGYGYHFEBIMMKO-XLPZGREQSA-N- Molecular formula
- C10H18N3O13P3
- Average molar mass
- 481.18 g/mol
- Monoisotopic mass
- 481.00524863
Names & identifiers
- Preferred name
- 3'-Deoxy-3'-aminothymidine-5'triphosphate
- IUPAC
- [[(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- English name
- 3-Adtpp
- Molecular formula
- C10H18N3O13P3
- Molecular weight
- 481.183503
Names & synonyms
3-Adtpp90053-16-03'-Deoxy-3'-aminothymidine-5'triphosphateDTXSID90238012RefChem:90356DTXCID101605033'-Amino-3'-deoxythymidine triphosphate3'-NH2-ddT-TP3'-NH2-dTTPSCHEMBL715411orb3143255TSW-01107
Show more names
5'-O-DMTr-3'-β-OH-2'-deoxy-5-Me-dU(Boc)Thymidine 5'-(tetrahydrogen triphosphate), 3'-amino-3'-deoxy- (9CI)
3'-Amino-3'-deoxythymidine 5'-(tetrahydrogen triphosphate)Thymidine 5'-(tetrahydrogen triphosphate), 3'-amino-3'-deoxy-Thymidine 5'-(tetrahydrogen triphosphate), 3'-amino-3'-deoxy-, (+-)-[[(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Database identifiers
- CAS
90053-16-0- PubChem CID
- 146124
- DTXSID
DTXSID90238012- Nikkaji
- J1.107.576B
Properties
Computed structural properties
- XLogP
- -7.1
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 855
Physicochemical properties
- Density
- 1.84 · 1.840±0.06 g/cm3(Predicted)
- pka
- 0.8 · 0.80±0.50(Predicted)
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Related reactions
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Compound notes
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