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

C15H26N3O2P — CID 90275967

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

(3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol (PubChem CID 90275967) has the molecular formula C15H26N3O2P and a molecular weight of 311.37 g/mol. Its IUPAC name is (3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol.

Molecular Properties

• Compound Name: (3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol
• PubChem CID: 90275967
• Molecular Formula: C15H26N3O2P
• Molecular Weight: 311.37 g/mol
• Exact Mass: 311.18
• IUPAC Name: (3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol
• SMILES: C=C1N=C(N)C=CN1[C@@H]1OC(CCP(=C)(C)C)[C@@H](O)[C@H]1C
• InChI: InChI=1S/C15H26N3O2P/c1-10-14(19)12(7-9-21(3,4)5)20-15(10)18-8-6-13(16)17-11(18)2/h6,8,10,12,14-15,19H,2-3,7,9H2,1,4-5H3,(H2,16,17)/t10-,12?,14+,15-/m1/s1
• InChIKey: MEVZWYBVWRZLBG-ZFFMROFLSA-N
• XLogP: 1.47
• TPSA: 71.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.37
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol (CID 90275967) is (3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol.

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

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

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

The InChIKey is MEVZWYBVWRZLBG-ZFFMROFLSA-N. The full InChI is InChI=1S/C15H26N3O2P/c1-10-14(19)12(7-9-21(3,4)5)20-15(10)18-8-6-13(16)17-11(18)2/h6,8,10,12,14-15,19H,2-3,7,9H2,1,4-5H3,(H2,16,17)/t10-,12?,14+,15-/m1/s1.

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

(3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol has a molecular weight of 311.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-4-methyloxolan-3-ol is sourced from PubChem (CID 90275967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).