(1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol

C81H138N15O15P5 — CID 162136202

About (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol

(1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol (PubChem CID 162136202) has the molecular formula C81H138N15O15P5 and a molecular weight of 1716.95 g/mol. Its IUPAC name is (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol.

Molecular Properties

• Compound Name: (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol
• PubChem CID: 162136202
• Molecular Formula: C81H138N15O15P5
• Molecular Weight: 1716.95 g/mol
• Exact Mass: 1715.92
• IUPAC Name: (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol
• SMILES: C=C1N=C(N)C(C)=CN1[C@@H]1O[C@@]2(C(C)CP(=C)(C)C)CO[C@@H]1[C@@H]2O.C=C1N=C(N)C=CN1[C@@H]1O[C@@]2(C(C)CP(=C)(C)C)CO[C@@H]1[C@@H]2O.C=C1N=C(N)C=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1N=C(N)C=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@]1(C)O.C=C1N=C(N)C=CN1[C@@H]1O[C@](C)(C(C)CP(=C)(C)C)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C17H28N3O3P.C16H26N3O3P.3C16H28N3O3P/c1-10-7-20(12(3)19-15(10)18)16-13-14(21)17(23-16,9-22-13)11(2)8-24(4,5)6;1-10(8-23(3,4)5)16-9-21-13(14(16)20)15(22-16)19-7-6-12(17)18-11(19)2;1-10(9-23(4,5)6)16(3)14(21)13(20)15(22-16)19-8-7-12(17)18-11(19)2;2*1-10(9-23(4,5)6)13-14(20)16(3,21)15(22-13)19-8-7-12(17)18-11(19)2/h7,11,13-14,16,21H,3-4,8-9H2,1-2,5-6H3,(H2,18,19);6-7,10,13-15,20H,2-3,8-9H2,1,4-5H3,(H2,17,18);3*7-8,10,13-15,20-21H,2,4,9H2,1,3,5-6H3,(H2,17,18)/t11?,13-,14+,16-,17-;2*10?,13-,14+,15-,16-;10?,13-,14-,15-,16+;10?,13-,14-,15-,16-/m11111/s1
• InChIKey: ZJIAEISVGSJDRJ-BUIKMHPCSA-N
• XLogP: 4.56
• TPSA: 434.55 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1716.95
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol?

The IUPAC name of (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol (CID 162136202) is (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol.

What is the SMILES notation for (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol?

The canonical SMILES for (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol is C=C1N=C(N)C(C)=CN1[C@@H]1O[C@@]2(C(C)CP(=C)(C)C)CO[C@@H]1[C@@H]2O.C=C1N=C(N)C=CN1[C@@H]1O[C@@]2(C(C)CP(=C)(C)C)CO[C@@H]1[C@@H]2O.C=C1N=C(N)C=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@@]1(C)O.C=C1N=C(N)C=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@]1(C)O.C=C1N=C(N)C=CN1[C@@H]1O[C@](C)(C(C)CP(=C)(C)C)[C@@H](O)[C@H]1O.

What is the InChIKey of (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol?

The InChIKey is ZJIAEISVGSJDRJ-BUIKMHPCSA-N. The full InChI is InChI=1S/C17H28N3O3P.C16H26N3O3P.3C16H28N3O3P/c1-10-7-20(12(3)19-15(10)18)16-13-14(21)17(23-16,9-22-13)11(2)8-24(4,5)6;1-10(8-23(3,4)5)16-9-21-13(14(16)20)15(22-16)19-7-6-12(17)18-11(19)2;1-10(9-23(4,5)6)16(3)14(21)13(20)15(22-16)19-8-7-12(17)18-11(19)2;2*1-10(9-23(4,5)6)13-14(20)16(3,21)15(22-13)19-8-7-12(17)18-11(19)2/h7,11,13-14,16,21H,3-4,8-9H2,1-2,5-6H3,(H2,18,19);6-7,10,13-15,20H,2-3,8-9H2,1,4-5H3,(H2,17,18);3*7-8,10,13-15,20-21H,2,4,9H2,1,3,5-6H3,(H2,17,18)/t11?,13-,14+,16-,17-;2*10?,13-,14+,15-,16-;10?,13-,14-,15-,16+;10?,13-,14-,15-,16-/m11111/s1.

What are the key properties of (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol?

(1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol has a molecular weight of 1716.95 g/mol, XLogP of 4.56, 20 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,3R,4R,7S)-3-(4-amino-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol;(2R,3S,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2-methyloxolane-3,4-diol;(1S,3R,4R,7S)-3-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-1-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 162136202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).