[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane

C44H73NO10Si3 — CID 16724296

IUPAC[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CO[C@@H]1CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H]1[N+](=O)[O-]
InChIInChI=1S/C44H73NO10Si3/c1-42(2,3)56(10,11)53-34-26-27-49-35(38(34)54-57(12,13)43(4,5)6)31-51-41-37(45(46)47)40(50-29-33-24-20-17-21-25-33)39(55-58(14,15)44(7,8)9)36(52-41)30-48-28-32-22-18-16-19-23-32/h16-27,34-41H,28-31H2,1-15H3/t34-,35-,36-,37-,38-,39-,40-,41-/m1/s1
InChIKeyZPXMEVAHXCFCBI-PKXRGRAPSA-N
MW860.32 g/mol
LogP10.26
Rot. Bonds17

About [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 16724296) has the molecular formula C44H73NO10Si3 and a molecular weight of 860.32 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID16724296
Molecular FormulaC44H73NO10Si3
Molecular Weight860.32 g/mol
Exact Mass859.45
IUPAC Name[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CO[C@@H]1CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H]1[N+](=O)[O-]
InChIInChI=1S/C44H73NO10Si3/c1-42(2,3)56(10,11)53-34-26-27-49-35(38(34)54-57(12,13)43(4,5)6)31-51-41-37(45(46)47)40(50-29-33-24-20-17-21-25-33)39(55-58(14,15)44(7,8)9)36(52-41)30-48-28-32-22-18-16-19-23-32/h16-27,34-41H,28-31H2,1-15H3/t34-,35-,36-,37-,38-,39-,40-,41-/m1/s1
InChIKeyZPXMEVAHXCFCBI-PKXRGRAPSA-N
XLogP10.26
TPSA116.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.32
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

2-Methoxy-3-(nitromethyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 74335166
methyl 3,4,6-tri-O-benzyl-2-deoxy-2-C-nitromethyl-beta-D-galactopyranoside
CID 101860319
[(2R,3R,4R,5R,6R)-3-nitro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 102123046
[(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane
CID 134833563
(2R,4aR,6R,7R,8S,8aS)-6-methoxy-8-nitro-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134930695
[(2R,4aR,7R,8R,8aR)-7-azido-2-phenyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl] nitrate
CID 134937462
[(2R,4aR,7S,8R,8aR)-7-azido-2-phenyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl] nitrate
CID 134937463
trimethyl-[2-[(2S,5R)-3-nitro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethynyl]silane
CID 146162732
trimethyl-[2-[(2R,5R)-3-nitro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethynyl]silane
CID 146162733
[(2R,3R,4R,5S,6R)-3-nitro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 164681478
[(2R,3R,4R,5R)-6-(2,2-difluoroethoxy)-5-nitro-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-tri(propan-2-yl)silane
CID 177446065
(3R,4R,5R,6R)-2-(2-fluoroethoxy)-3-nitro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 177503449

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane (CID 16724296) is [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CO[C@@H]1CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@H]1[N+](=O)[O-].
What is the InChIKey of [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ZPXMEVAHXCFCBI-PKXRGRAPSA-N. The full InChI is InChI=1S/C44H73NO10Si3/c1-42(2,3)56(10,11)53-34-26-27-49-35(38(34)54-57(12,13)43(4,5)6)31-51-41-37(45(46)47)40(50-29-33-24-20-17-21-25-33)39(55-58(14,15)44(7,8)9)36(52-41)30-48-28-32-22-18-16-19-23-32/h16-27,34-41H,28-31H2,1-15H3/t34-,35-,36-,37-,38-,39-,40-,41-/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 860.32 g/mol, XLogP of 10.26, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy]-5-nitro-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 16724296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).