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

C15H26N3O4P — CID 90275991

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

(2R,3R,4S)-2-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (PubChem CID 90275991) has the molecular formula C15H26N3O4P and a molecular weight of 343.36 g/mol. Its IUPAC name is (2R,3R,4S)-2-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S)-2-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
• PubChem CID: 90275991
• Molecular Formula: C15H26N3O4P
• Molecular Weight: 343.36 g/mol
• Exact Mass: 343.17
• IUPAC Name: (2R,3R,4S)-2-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
• SMILES: C=C1N=C(N)C(OC)=CN1[C@@H]1OC(CCP(=C)(C)C)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C15H26N3O4P/c1-9-17-14(16)11(21-2)8-18(9)15-13(20)12(19)10(22-15)6-7-23(3,4)5/h8,10,12-13,15,19-20H,1,3,6-7H2,2,4-5H3,(H2,16,17)/t10?,12-,13-,15-/m1/s1
• InChIKey: RWDPZNSSXZXONX-GFFCLIRVSA-N
• XLogP: 0.16
• TPSA: 100.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.36
LogP ≤ 5	0.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R,3R,4S)-2-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (CID 90275991) is (2R,3R,4S)-2-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.

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

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

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

The InChIKey is RWDPZNSSXZXONX-GFFCLIRVSA-N. The full InChI is InChI=1S/C15H26N3O4P/c1-9-17-14(16)11(21-2)8-18(9)15-13(20)12(19)10(22-15)6-7-23(3,4)5/h8,10,12-13,15,19-20H,1,3,6-7H2,2,4-5H3,(H2,16,17)/t10?,12-,13-,15-/m1/s1.

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

(2R,3R,4S)-2-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol has a molecular weight of 343.36 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S)-2-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol is sourced from PubChem (CID 90275991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).