[(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol

C25H35NO5Si — CID 101251516

About [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol

[(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol (PubChem CID 101251516) has the molecular formula C25H35NO5Si and a molecular weight of 457.64 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol.

Molecular Properties

• Compound Name: [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
• PubChem CID: 101251516
• Molecular Formula: C25H35NO5Si
• Molecular Weight: 457.64 g/mol
• Exact Mass: 457.23
• IUPAC Name: [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
• SMILES: CC1(C)O[C@H]2O[C@](CO)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](N)[C@H]2O1
• InChI: InChI=1S/C25H35NO5Si/c1-23(2,3)32(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-17-25(16-27)21(26)20-22(31-25)30-24(4,5)29-20/h6-15,20-22,27H,16-17,26H2,1-5H3/t20-,21+,22+,25-/m1/s1
• InChIKey: PXNCEMDZLJBMTR-HXKBJWFLSA-N
• XLogP: 2.13
• TPSA: 83.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.64
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?

The IUPAC name of [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol (CID 101251516) is [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol.

What is the SMILES notation for [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?

The canonical SMILES for [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol is CC1(C)O[C@H]2O[C@](CO)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](N)[C@H]2O1.

What is the InChIKey of [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?

The InChIKey is PXNCEMDZLJBMTR-HXKBJWFLSA-N. The full InChI is InChI=1S/C25H35NO5Si/c1-23(2,3)32(18-12-8-6-9-13-18,19-14-10-7-11-15-19)28-17-25(16-27)21(26)20-22(31-25)30-24(4,5)29-20/h6-15,20-22,27H,16-17,26H2,1-5H3/t20-,21+,22+,25-/m1/s1.

What are the key properties of [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol?

[(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol has a molecular weight of 457.64 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,5R,6S,6aR)-6-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol is sourced from PubChem (CID 101251516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).