[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane

C66H112N8O62P8S4-4 — CID 162128620

IUPAC[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane
SMILESC.C.C.C.Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](O)C3S)O2)c(=O)[nH]c1=O.Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](S)C3O)O2)c(=O)[nH]c1=O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](O)C3S)[C@H](O)C2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](S)C3O)[C@H](O)C2O)c(=O)[nH]1
InChIInChI=1S/2C16H26N2O15P2S.2C15H24N2O16P2S.4CH4/c1-6-3-18(16(24)17-14(6)23)10-2-7(20)9(30-10)5-29-34(25,26)33-35(27,28)32-15-12(22)13(36)11(21)8(4-19)31-15;1-6-3-18(16(24)17-14(6)23)10-2-7(20)9(30-10)5-29-34(25,26)33-35(27,28)32-15-13(36)12(22)11(21)8(4-19)31-15;18-3-5-9(21)12(36)11(23)14(31-5)32-35(27,28)33-34(25,26)29-4-6-8(20)10(22)13(30-6)17-2-1-7(19)16-15(17)24;18-3-5-8(20)10(22)12(36)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(21)11(23)13(30-6)17-2-1-7(19)16-15(17)24;;;;/h2*3,7-13,15,19-22,36H,2,4-5H2,1H3,(H,25,26)(H,27,28)(H,17,23,24);2*1-2,5-6,8-14,18,20-23,36H,3-4H2,(H,25,26)(H,27,28)(H,16,19,24);4*1H4/p-4/t7-,8?,9-,10-,11-,12?,13+,15-;7-,8?,9-,10-,11-,12+,13?,15-;5?,6-,8+,9-,10?,11?,12+,13-,14-;5?,6-,8-,9+,10+,11?,12?,13-,14-;;;;/m1111..../s1
InChIKeyZIJHNABHILREND-JIBJTYQNSA-J
MW2385.68 g/mol
LogP-12.73
Rot. Bonds36

About [(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane

[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane (PubChem CID 162128620) has the molecular formula C66H112N8O62P8S4-4 and a molecular weight of 2385.68 g/mol. Its IUPAC name is [(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane.

Molecular Properties

Compound Name[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane
PubChem CID162128620
Molecular FormulaC66H112N8O62P8S4-4
Molecular Weight2385.68 g/mol
Exact Mass2384.27
IUPAC Name[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane
SMILESC.C.C.C.Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](O)C3S)O2)c(=O)[nH]c1=O.Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](S)C3O)O2)c(=O)[nH]c1=O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](O)C3S)[C@H](O)C2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](S)C3O)[C@H](O)C2O)c(=O)[nH]1
InChIInChI=1S/2C16H26N2O15P2S.2C15H24N2O16P2S.4CH4/c1-6-3-18(16(24)17-14(6)23)10-2-7(20)9(30-10)5-29-34(25,26)33-35(27,28)32-15-12(22)13(36)11(21)8(4-19)31-15;1-6-3-18(16(24)17-14(6)23)10-2-7(20)9(30-10)5-29-34(25,26)33-35(27,28)32-15-13(36)12(22)11(21)8(4-19)31-15;18-3-5-9(21)12(36)11(23)14(31-5)32-35(27,28)33-34(25,26)29-4-6-8(20)10(22)13(30-6)17-2-1-7(19)16-15(17)24;18-3-5-8(20)10(22)12(36)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(21)11(23)13(30-6)17-2-1-7(19)16-15(17)24;;;;/h2*3,7-13,15,19-22,36H,2,4-5H2,1H3,(H,25,26)(H,27,28)(H,17,23,24);2*1-2,5-6,8-14,18,20-23,36H,3-4H2,(H,25,26)(H,27,28)(H,16,19,24);4*1H4/p-4/t7-,8?,9-,10-,11-,12?,13+,15-;7-,8?,9-,10-,11-,12+,13?,15-;5?,6-,8+,9-,10?,11?,12+,13-,14-;5?,6-,8-,9+,10+,11?,12?,13-,14-;;;;/m1111..../s1
InChIKeyZIJHNABHILREND-JIBJTYQNSA-J
XLogP-12.73
TPSA1077.90 Ų
H-Bond Donors30
H-Bond Acceptors66
Rotatable Bonds36
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002385.68
LogP ≤ 5-12.73
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1066

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane?
The IUPAC name of [(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane (CID 162128620) is [(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane.
What is the SMILES notation for [(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane?
The canonical SMILES for [(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane is C.C.C.C.Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](O)C3S)O2)c(=O)[nH]c1=O.Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](S)C3O)O2)c(=O)[nH]c1=O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](O)C3S)[C@H](O)C2O)c(=O)[nH]1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(CO)[C@@H](O)[C@H](S)C3O)[C@H](O)C2O)c(=O)[nH]1.
What is the InChIKey of [(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane?
The InChIKey is ZIJHNABHILREND-JIBJTYQNSA-J. The full InChI is InChI=1S/2C16H26N2O15P2S.2C15H24N2O16P2S.4CH4/c1-6-3-18(16(24)17-14(6)23)10-2-7(20)9(30-10)5-29-34(25,26)33-35(27,28)32-15-12(22)13(36)11(21)8(4-19)31-15;1-6-3-18(16(24)17-14(6)23)10-2-7(20)9(30-10)5-29-34(25,26)33-35(27,28)32-15-13(36)12(22)11(21)8(4-19)31-15;18-3-5-9(21)12(36)11(23)14(31-5)32-35(27,28)33-34(25,26)29-4-6-8(20)10(22)13(30-6)17-2-1-7(19)16-15(17)24;18-3-5-8(20)10(22)12(36)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(21)11(23)13(30-6)17-2-1-7(19)16-15(17)24;;;;/h2*3,7-13,15,19-22,36H,2,4-5H2,1H3,(H,25,26)(H,27,28)(H,17,23,24);2*1-2,5-6,8-14,18,20-23,36H,3-4H2,(H,25,26)(H,27,28)(H,16,19,24);4*1H4/p-4/t7-,8?,9-,10-,11-,12?,13+,15-;7-,8?,9-,10-,11-,12+,13?,15-;5?,6-,8+,9-,10?,11?,12+,13-,14-;5?,6-,8-,9+,10+,11?,12?,13-,14-;;;;/m1111..../s1.
What are the key properties of [(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane?
[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane has a molecular weight of 2385.68 g/mol, XLogP of -12.73, 36 rotatable bonds, 30 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate;[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;[(2R,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane is sourced from PubChem (CID 162128620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).