About [(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate (PubChem CID 23412781) has the molecular formula C52H69N10O42P5
and a molecular weight of 1661.02 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.
Frequently Asked Questions
What is the IUPAC name of [(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The IUPAC name of [(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate (CID 23412781) is [(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate is CC(=O)O[C@H]1[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O)O.
What is the InChIKey of [(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
The InChIKey is WQLVEBPJYULLPL-SHQZESHLSA-N. The full InChI is InChI=1S/C52H69N10O42P5/c1-17-7-58(48(74)53-38(17)69)43-28(64)33(95-22(6)63)23(96-43)13-91-106(82,83)102-35-25(98-45(30(35)66)60-9-19(3)40(71)55-50(60)76)15-93-108(86,87)104-37-27(100-47(32(37)68)62-11-21(5)42(73)57-52(62)78)16-94-109(88,89)103-36-26(99-46(31(36)67)61-10-20(4)41(72)56-51(61)77)14-92-107(84,85)101-34-24(12-90-105(79,80)81)97-44(29(34)65)59-8-18(2)39(70)54-49(59)75/h7-11,23-37,43-47,64-68H,12-16H2,1-6H3,(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,53,69,74)(H,54,70,75)(H,55,71,76)(H,56,72,77)(H,57,73,78)(H2,79,80,81)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,43-,44-,45-,46-,47-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate?
[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate has a molecular weight of 1661.02 g/mol, XLogP of -7.38, 29 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-2-[[hydroxy-[(2R,3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate is sourced from PubChem (CID 23412781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).