[(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

C30H54N2O6Si2 — CID 66652398

IUPAC[(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
SMILESCOC[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/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/h14-17,19-24,28-30H,18H2,1-13H3/t28-,29-,30+/m1/s1
InChIKeyINMQTAIRGOEQSB-OCBJUFRSSA-N
MW594.94 g/mol
LogP8.50
Rot. Bonds14

About [(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

[(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 (PubChem CID 66652398) has the molecular formula C30H54N2O6Si2 and a molecular weight of 594.94 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID66652398
Molecular FormulaC30H54N2O6Si2
Molecular Weight594.94 g/mol
Exact Mass594.35
IUPAC Name[(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
SMILESCOC[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/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/h14-17,19-24,28-30H,18H2,1-13H3/t28-,29-,30+/m1/s1
InChIKeyINMQTAIRGOEQSB-OCBJUFRSSA-N
XLogP8.50
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.94
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze [(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 with MolForge

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Related Compounds

[6-(3-nitro-4-pyridinyl)-3,4-bis[tri(propan-2-yl)silyloxy]-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 77158723
[(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
[(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
2-ethenyl-6-(3-nitro-4-pyridinyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 77158777
3-nitro-4-[(2R)-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-6-yl]pyridine
CID 173004810
4-[(1S,5S)-5-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]-3-nitropyridine
CID 90006100
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
4-(4-methylphenyl)-3-nitropyridine
CID 59113375
hydroxy-[1-[(1R,2R,6S)-2-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-methyl-4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl]-2-methylpropan-2-yl]-dimethylsilane
CID 90075778
(1S)-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-ol
CID 124565316
4-tert-butyl-3-nitropyridine
CID 59463874
[4-(3-nitro-4-pyridinyl)cyclohex-3-en-1-yl] methanesulfonate
CID 59226499

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is COC[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)-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?
The InChIKey is INMQTAIRGOEQSB-OCBJUFRSSA-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/h14-17,19-24,28-30H,18H2,1-13H3/t28-,29-,30+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 594.94 g/mol, XLogP of 8.50, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 66652398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).