(2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol

C15H26N3O3P — CID 159232284

About (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol

(2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol (PubChem CID 159232284) has the molecular formula C15H26N3O3P and a molecular weight of 327.37 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol
• PubChem CID: 159232284
• Molecular Formula: C15H26N3O3P
• Molecular Weight: 327.37 g/mol
• Exact Mass: 327.17
• IUPAC Name: (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol
• SMILES: C=C1N=C(N)C=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C15H26N3O3P/c1-9(8-22(3,4)5)14-12(19)13(20)15(21-14)18-7-6-11(16)17-10(18)2/h6-7,9,12-15,19-20H,2-3,8H2,1,4-5H3,(H2,16,17)/t9?,12-,13+,14+,15+/m0/s1
• InChIKey: ACAHPSUXMBERSW-PFBCCLLISA-N
• XLogP: 0.44
• TPSA: 91.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.37
LogP ≤ 5	0.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

The IUPAC name of (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol (CID 159232284) is (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol is C=C1N=C(N)C=CN1[C@@H]1O[C@H](C(C)CP(=C)(C)C)[C@@H](O)[C@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

The InChIKey is ACAHPSUXMBERSW-PFBCCLLISA-N. The full InChI is InChI=1S/C15H26N3O3P/c1-9(8-22(3,4)5)14-12(19)13(20)15(21-14)18-7-6-11(16)17-10(18)2/h6-7,9,12-15,19-20H,2-3,8H2,1,4-5H3,(H2,16,17)/t9?,12-,13+,14+,15+/m0/s1.

What are the key properties of (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol?

(2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol has a molecular weight of 327.37 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-(4-amino-2-methylidenepyrimidin-1-yl)-5-[1-[dimethyl(methylidene)-λ5-phosphanyl]propan-2-yl]oxolane-3,4-diol is sourced from PubChem (CID 159232284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).