Heptauridylic acid
Basic information
- CAS
83379-52-6- Standard SMILES
O=c1ccn(C2OC(COP(=O)(O)OC3C(COP(=O)(O)OC4C(COP(=O)(O)OC5C(COP(=O)(O)OC6C(COP(=O)(O)OC7C(COP(=O)(O)OC8C(COP(=O)(O)O)OC(n9ccc(=O)[nH]c9=O)C8O)OC(n8ccc(=O)[nH]c8=O)C7O)OC(n7ccc(=O)[nH]c7=O)C6O)OC(n6ccc(=O)[nH]c6=O)C5O)OC(n5ccc(=O)[nH]c5=O)C4O)OC(n4ccc(=O)[nH]c4=O)C3O)C(O)C2O)c(=O)[nH]1- InChIKey
UCKKULKOIQLXCN-PVJQJEDLSA-N- Molecular formula
- C63H79N14O57P7
- Average molar mass
- 2,161.2 g/mol
- Monoisotopic mass
- 2,160.1876809
Names & identifiers
- Preferred name
- Heptauridylic acid
- IUPAC
- [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
- English name
- heptauridylic acid
- Molecular formula
- C63H79N14O57P7
- Molecular weight
- 2161.18
Names & synonyms
Heptauridylic acid83379-52-6RefChem:145705HeptauridilateHeptauridylate3'-Uridylic acid, uridylyl-(3'-5')-uridylyl-(3'-5')-uridylyl-(3'-5')-uridyl-(3'-5')-uridylyl-(3'-5')-uridylyl-(3'-5')-
Database identifiers
- CAS
83379-52-6- PubChem CID
- 129011003
Properties
Computed structural properties
- XLogP
- -21.7
- Topological polar surface area
- 974 Ų
- Hydrogen bond donors
- 23
- Hydrogen bond acceptors
- 57
- Rotatable bonds
- 40
- Heavy atoms
- 141
- Formal charge
- 0
- Complexity
- 5,580
Physicochemical properties
- Density
- 2.074 · 2.074±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
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Compound notes
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