5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine

C21H45N3O5Si4 — CID 58978837

About 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine

5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine (PubChem CID 58978837) has the molecular formula C21H45N3O5Si4 and a molecular weight of 531.95 g/mol. Its IUPAC name is 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine
• PubChem CID: 58978837
• Molecular Formula: C21H45N3O5Si4
• Molecular Weight: 531.95 g/mol
• Exact Mass: 531.24
• IUPAC Name: 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine
• SMILES: C[Si](C)(C)OC[C@H]1O[C@@H](c2cnc(N)nc2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C
• InChI: InChI=1S/C21H45N3O5Si4/c1-30(2,3)25-14-16-18(27-31(4,5)6)19(28-32(7,8)9)17(26-16)15-13-23-21(22)24-20(15)29-33(10,11)12/h13,16-19H,14H2,1-12H3,(H2,22,23,24)/t16-,17+,18?,19-/m1/s1
• InChIKey: ZABFQGYRNRWCCX-ZZJWQFMZSA-N
• XLogP: 5.00
• TPSA: 97.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.95
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine?

The IUPAC name of 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine (CID 58978837) is 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine.

What is the SMILES notation for 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine?

The canonical SMILES for 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine is C[Si](C)(C)OC[C@H]1O[C@@H](c2cnc(N)nc2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C.

What is the InChIKey of 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine?

The InChIKey is ZABFQGYRNRWCCX-ZZJWQFMZSA-N. The full InChI is InChI=1S/C21H45N3O5Si4/c1-30(2,3)25-14-16-18(27-31(4,5)6)19(28-32(7,8)9)17(26-16)15-13-23-21(22)24-20(15)29-33(10,11)12/h13,16-19H,14H2,1-12H3,(H2,22,23,24)/t16-,17+,18?,19-/m1/s1.

What are the key properties of 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine?

5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine has a molecular weight of 531.95 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S,3R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-yl]-4-trimethylsilyloxypyrimidin-2-amine is sourced from PubChem (CID 58978837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).