Methylene-AzddTTP
Basic information
- CAS
115991-80-5- Standard SMILES
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
LUYVLMHFQAPSER-DJLDLDEBSA-N- Molecular formula
- C11H18N5O12P3
- Average molar mass
- 505.21 g/mol
- Monoisotopic mass
- 505.01648202
Names & identifiers
- Preferred name
- Methylene-AzddTTP
- IUPAC
- [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Names & synonyms
Methylene-AzddTTP115991-80-53'-Azido-3'-deoxyadenosinealpha,beta-methylenetriphosphateThymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen ((hydroxy(phosphonooxy)phosphinyl)methyl)phosphonate)Thymidine, 3'-azido-3'-deoxy-, 5'-[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate]DTXSID301512513'-Azido-3'-deoxyadenosine.alpha.,.beta.-methylenetriphosphate[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid3'-Azido-3'-deoxy-5'-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)thymidine
Database identifiers
- CAS
115991-80-5- PubChem CID
- 451979
- DTXSID
DTXSID30151251
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 973
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