[(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane

C30H54N2O6Si2 — CID 123372675

About [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane

[(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 123372675) has the molecular formula C30H54N2O6Si2 and a molecular weight of 594.94 g/mol. Its IUPAC name is [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
• PubChem CID: 123372675
• Molecular Formula: C30H54N2O6Si2
• Molecular Weight: 594.94 g/mol
• Exact Mass: 594.35
• IUPAC Name: [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
• SMILES: COC[C@H]1OC(c2ccncc2[N+](=O)[O-])C=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C30H54N2O6Si2/c1-19(2)39(20(3)4,21(5)6)37-28-16-27(25-14-15-31-17-26(25)32(33)34)36-29(18-35-13)30(28)38-40(22(7)8,23(9)10)24(11)12/h14-17,19-24,27,29-30H,18H2,1-13H3/t27?,29-,30+/m1/s1
• InChIKey: FMSIYRLFPRWXHK-LANVVXPSSA-N
• XLogP: 8.71
• TPSA: 92.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.94
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?

The IUPAC name of [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane (CID 123372675) is [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane.

What is the SMILES notation for [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?

The canonical SMILES for [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane is COC[C@H]1OC(c2ccncc2[N+](=O)[O-])C=C(O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?

The InChIKey is FMSIYRLFPRWXHK-LANVVXPSSA-N. The full InChI is InChI=1S/C30H54N2O6Si2/c1-19(2)39(20(3)4,21(5)6)37-28-16-27(25-14-15-31-17-26(25)32(33)34)36-29(18-35-13)30(28)38-40(22(7)8,23(9)10)24(11)12/h14-17,19-24,27,29-30H,18H2,1-13H3/t27?,29-,30+/m1/s1.

What are the key properties of [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?

[(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 594.94 g/mol, XLogP of 8.71, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,6-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 123372675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).