[(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane

C31H54N2O5Si2 — CID 66653062

IUPAC[(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC=C[C@H]1OC(c2ccncc2[N+](=O)[O-])=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C31H54N2O5Si2/c1-14-15-28-31(38-40(23(8)9,24(10)11)25(12)13)30(37-39(20(2)3,21(4)5)22(6)7)18-29(36-28)26-16-17-32-19-27(26)33(34)35/h14-25,28,30-31H,1-13H3/t28-,30-,31-/m1/s1
InChIKeyUPISJGVDMSPNNU-JJEZKPMQSA-N
MW590.95 g/mol
LogP9.43
Rot. Bonds13

About [(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane

[(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 66653062) has the molecular formula C31H54N2O5Si2 and a molecular weight of 590.95 g/mol. Its IUPAC name is [(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID66653062
Molecular FormulaC31H54N2O5Si2
Molecular Weight590.95 g/mol
Exact Mass590.36
IUPAC Name[(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC=C[C@H]1OC(c2ccncc2[N+](=O)[O-])=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C31H54N2O5Si2/c1-14-15-28-31(38-40(23(8)9,24(10)11)25(12)13)30(37-39(20(2)3,21(4)5)22(6)7)18-29(36-28)26-16-17-32-19-27(26)33(34)35/h14-25,28,30-31H,1-13H3/t28-,30-,31-/m1/s1
InChIKeyUPISJGVDMSPNNU-JJEZKPMQSA-N
XLogP9.43
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.95
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4R)-2-(methoxymethyl)-6-(3-nitro-4-pyridinyl)-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane
CID 66652398
[6-(3-nitro-4-pyridinyl)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 77158723
2-ethenyl-6-(3-nitro-4-pyridinyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 77158777
[(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
4-[(1S,5S)-5-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]-3-nitropyridine
CID 90006100
4-(4-methylphenyl)-3-nitropyridine
CID 59113375
(1S)-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol
CID 124565316
[4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl] methanesulfonate
CID 59226499
[4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl] acetate
CID 90236226
tert-butyl (3aR,7S,7aS)-7-methyl-5-(3-nitro-4-pyridinyl)-2-oxo-3a,6,7,7a-tetrahydro-1,3-benzoxazole-3-carboxylate
CID 86705252
3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine
CID 173004810
3-nitro-4-(oxetan-3-yloxy)pyridine
CID 90409320

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane (CID 66653062) is [(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane is CC=C[C@H]1OC(c2ccncc2[N+](=O)[O-])=C[C@@H](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,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is UPISJGVDMSPNNU-JJEZKPMQSA-N. The full InChI is InChI=1S/C31H54N2O5Si2/c1-14-15-28-31(38-40(23(8)9,24(10)11)25(12)13)30(37-39(20(2)3,21(4)5)22(6)7)18-29(36-28)26-16-17-32-19-27(26)33(34)35/h14-25,28,30-31H,1-13H3/t28-,30-,31-/m1/s1.
What are the key properties of [(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane?
[(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 590.95 g/mol, XLogP of 9.43, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-6-(3-nitro-4-pyridinyl)-2-prop-1-enyl-3-tri(propan-2-yl)silyloxy-3,4-dihydro-2H-pyran-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 66653062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).