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

C34H58N4O28P4-2 — CID 157256892

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

[[(2R,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-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 157256892) has the molecular formula C34H58N4O28P4-2 and a molecular weight of 1094.73 g/mol. Its IUPAC name is [[(2R,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-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,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-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: 157256892
• Molecular Formula: C34H58N4O28P4-2
• Molecular Weight: 1094.73 g/mol
• Exact Mass: 1094.22
• IUPAC Name: [[(2R,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane
• SMILES: C.C.C=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])O[C@H]2OC(C)C[C@H](O)C2O)[C@H](O)C1O.Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(C)C[C@H](O)C3O)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/2C16H26N2O14P2.2CH4/c1-7-5-18(16(23)17-14(7)22)12-4-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-15-13(21)10(20)3-8(2)29-15;1-7-5-9(19)12(21)16(29-7)31-34(26,27)32-33(24,25)28-6-10-13(22)14(23)15(30-10)18-4-3-11(20)17-8(18)2;;/h5,8-13,15,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23);3-4,7,9-10,12-16,19,21-23H,2,5-6H2,1H3,(H,17,20)(H,24,25)(H,26,27);2*1H4/p-2/t8?,9-,10+,11-,12-,13?,15-;7?,9-,10+,12?,13-,14?,15+,16+;;/m10../s1
• InChIKey: AWZLOADYAFAWQO-UEJYJSLHSA-L
• XLogP: -3.43
• TPSA: 475.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1094.73
LogP ≤ 5	-3.43
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[(2R,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-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,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane (CID 157256892) is [[(2R,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-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,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-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,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-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=C1NC(=O)C=CN1[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])O[C@H]2OC(C)C[C@H](O)C2O)[C@H](O)C1O.Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)OP(=O)([O-])O[C@H]3OC(C)C[C@H](O)C3O)O2)c(=O)[nH]c1=O.

What is the InChIKey of [[(2R,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-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 AWZLOADYAFAWQO-UEJYJSLHSA-L. The full InChI is InChI=1S/2C16H26N2O14P2.2CH4/c1-7-5-18(16(23)17-14(7)22)12-4-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-15-13(21)10(20)3-8(2)29-15;1-7-5-9(19)12(21)16(29-7)31-34(26,27)32-33(24,25)28-6-10-13(22)14(23)15(30-10)18-4-3-11(20)17-8(18)2;;/h5,8-13,15,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23);3-4,7,9-10,12-16,19,21-23H,2,5-6H2,1H3,(H,17,20)(H,24,25)(H,26,27);2*1H4/p-2/t8?,9-,10+,11-,12-,13?,15-;7?,9-,10+,12?,13-,14?,15+,16+;;/m10../s1.

What are the key properties of [[(2R,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[(2R,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphate;methane?

[[(2R,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-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 1094.73 g/mol, XLogP of -3.43, 16 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2R,3R,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S)-3,4-dihydroxy-6-methyloxan-2-yl] phosphate;[(2R,4S)-3,4-dihydroxy-6-methyloxan-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 157256892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).