(2R,3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol

C21H40N3O3PSi — CID 159452334

About (2R,3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol

(2R,3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (PubChem CID 159452334) has the molecular formula C21H40N3O3PSi and a molecular weight of 441.63 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
• PubChem CID: 159452334
• Molecular Formula: C21H40N3O3PSi
• Molecular Weight: 441.63 g/mol
• Exact Mass: 441.26
• IUPAC Name: (2R,3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
• SMILES: C=C1N=C(N)C(C[Si](C)(C)C(C)(C)C)=CN1[C@@H]1O[C@H](CCP(=C)(C)C)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C21H40N3O3PSi/c1-14-23-19(22)15(13-29(8,9)21(2,3)4)12-24(14)20-18(26)17(25)16(27-20)10-11-28(5,6)7/h12,16-18,20,25-26H,1,5,10-11,13H2,2-4,6-9H3,(H2,22,23)/t16-,17-,18-,20-/m1/s1
• InChIKey: PVDURIKGZWXBGE-SOAMZJECSA-N
• XLogP: 3.07
• TPSA: 91.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.63
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R,3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (CID 159452334) is (2R,3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.

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

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

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

The InChIKey is PVDURIKGZWXBGE-SOAMZJECSA-N. The full InChI is InChI=1S/C21H40N3O3PSi/c1-14-23-19(22)15(13-29(8,9)21(2,3)4)12-24(14)20-18(26)17(25)16(27-20)10-11-28(5,6)7/h12,16-18,20,25-26H,1,5,10-11,13H2,2-4,6-9H3,(H2,22,23)/t16-,17-,18-,20-/m1/s1.

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

(2R,3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol has a molecular weight of 441.63 g/mol, XLogP of 3.07, 6 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-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol is sourced from PubChem (CID 159452334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).