5-(Dansylglycyl-6-aminohexanoylaminoprop-1-enyl)-2'-deoxyuridine 5'-triphosphate
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Basic information
- CAS
109921-29-1- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)C(N)CCCCC(=O)N(C/C=C/c3cn([C@H]4C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O4)c(=O)[nH]c3=O)C(=O)CN)cccc12.[NH4+].[NH4+].[NH4+].[NH4+]- InChIKey
UHLUYABGJBKKPM-IGQWATTFSA-N- Molecular formula
- C32H61N10O18P3S+4
- Average molar mass
- 998.9 g/mol
- Monoisotopic mass
- 998.3098873
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5-(Dansylglycyl-6-aminohexanoylaminoprop-1-enyl)-2'-deoxyuridine 5'-triphosphate
- IUPAC
- tetraazanium;[[(2R,3S,5R)-5-[5-[(E)-3-[(2-aminoacetyl)-[6-amino-6-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoyl]amino]prop-1-enyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- English name
- 5-(dansylglycyl-6-aminohexanoylaminoprop-1-enyl)-2'-deoxyuridine 5'-triphosphate
- Molecular formula
- C32H48N7O18P3S
- Molecular weight
- 943.75
Names & synonyms
5-Dgapdt5-(Dansylglycyl-6-aminohexanoylaminoprop-1-enyl)-2'-deoxyuridine 5'-triphosphateRefChem:101780109921-29-1tetraazanium;[[(2R,3S,5R)-5-[5-[(E)-3-[(2-aminoacetyl)-[6-amino-6-[5-(dimethylamino)naphthalen-1-yl]sulfonylhexanoyl]amino]prop-1-enyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateUridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(3-((6-(((((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)acetyl)amino)-1-oxohexyl)amino)-1-propenyl)-, tetraammonium salt
Database identifiers
- CAS
109921-29-1- PubChem CID
- 6439271
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 378 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 20
- Heavy atoms
- 64
- Formal charge
- 4
- Complexity
- 1,910
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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