[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane

C42H68N8O36P4 — CID 158031902

About [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane

[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane (PubChem CID 158031902) has the molecular formula C42H68N8O36P4 and a molecular weight of 1384.92 g/mol. Its IUPAC name is [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane.

Molecular Properties

• Compound Name: [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane
• PubChem CID: 158031902
• Molecular Formula: C42H68N8O36P4
• Molecular Weight: 1384.92 g/mol
• Exact Mass: 1384.27
• IUPAC Name: [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane
• SMILES: C.C.Cn1c(=O)[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1=O.Cn1cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.Cn1cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n(C)c1=O.O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
• InChI: InChI=1S/C11H17N2O9P.2C10H15N2O9P.C9H13N2O9P.2CH4/c1-12-3-5(10(16)13(2)11(12)17)9-8(15)7(14)6(22-9)4-21-23(18,19)20;1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19;1-12-9(15)4(2-11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19;12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14;;/h3,6-9,14-15H,4H2,1-2H3,(H2,18,19,20);2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19);2,5-8,13-14H,3H2,1H3,(H,11,16)(H2,17,18,19);1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15);2*1H4/t6-,7-,8-,9+;2*5-,6-,7-,8+;4-,5-,6-,7+;;/m1111../s1
• InChIKey: FHGXKVVDDVGBPO-YIXGXISDSA-N
• XLogP: -9.35
• TPSA: 685.24 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1384.92
LogP ≤ 5	-9.35
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane?

The IUPAC name of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane (CID 158031902) is [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane.

What is the SMILES notation for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane?

The canonical SMILES for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane is C.C.Cn1c(=O)[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1=O.Cn1cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O.Cn1cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n(C)c1=O.O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1.

What is the InChIKey of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane?

The InChIKey is FHGXKVVDDVGBPO-YIXGXISDSA-N. The full InChI is InChI=1S/C11H17N2O9P.2C10H15N2O9P.C9H13N2O9P.2CH4/c1-12-3-5(10(16)13(2)11(12)17)9-8(15)7(14)6(22-9)4-21-23(18,19)20;1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19;1-12-9(15)4(2-11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19;12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14;;/h3,6-9,14-15H,4H2,1-2H3,(H2,18,19,20);2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19);2,5-8,13-14H,3H2,1H3,(H,11,16)(H2,17,18,19);1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15);2*1H4/t6-,7-,8-,9+;2*5-,6-,7-,8+;4-,5-,6-,7+;;/m1111../s1.

What are the key properties of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane?

[(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane has a molecular weight of 1384.92 g/mol, XLogP of -9.35, 16 rotatable bonds, 20 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(1-methyl-2,4-dioxopyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;methane is sourced from PubChem (CID 158031902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).