(R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide

C36H59NO6SSi2 — CID 56935062

IUPAC(R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide
SMILESCOCO[C@H](C#C[Si](C)(C)C)[C@@H](N[S@](=O)C(C)(C)C)[C@H](OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C36H59NO6SSi2/c1-35(2,3)44(38)37-33(31(42-28-39-7)23-24-45(8,9)10)34(41-26-30-21-17-14-18-22-30)32(27-43-46(11,12)36(4,5)6)40-25-29-19-15-13-16-20-29/h13-22,31-34,37H,25-28H2,1-12H3/t31-,32-,33-,34-,44-/m1/s1
InChIKeyGVWOKKNEJMUDEE-KCFOKZEWSA-N
MW690.11 g/mol
LogP7.47
Rot. Bonds17

About (R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 56935062) has the molecular formula C36H59NO6SSi2 and a molecular weight of 690.11 g/mol. Its IUPAC name is (R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID56935062
Molecular FormulaC36H59NO6SSi2
Molecular Weight690.11 g/mol
Exact Mass689.36
IUPAC Name(R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide
SMILESCOCO[C@H](C#C[Si](C)(C)C)[C@@H](N[S@](=O)C(C)(C)C)[C@H](OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C36H59NO6SSi2/c1-35(2,3)44(38)37-33(31(42-28-39-7)23-24-45(8,9)10)34(41-26-30-21-17-14-18-22-30)32(27-43-46(11,12)36(4,5)6)40-25-29-19-15-13-16-20-29/h13-22,31-34,37H,25-28H2,1-12H3/t31-,32-,33-,34-,44-/m1/s1
InChIKeyGVWOKKNEJMUDEE-KCFOKZEWSA-N
XLogP7.47
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.11
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 102281928
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(methoxymethoxy)-3-methylcyclopropyl]-2,3-bis(phenylmethoxy)butan-1-ol
CID 10437043
tert-butyl-[(2R,3S,4S,5R)-5-(1,3-dithiolan-2-yl)-2,3,4,5-tetrakis(phenylmethoxy)pentoxy]-dimethylsilane
CID 102308416
tert-butyl-[(2R,5S)-2-(methoxymethoxy)-5-phenylmethoxyhexoxy]-dimethylsilane
CID 42644288
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997
[(4S)-3-methoxy-4-phenylmethoxypent-1-ynyl]-trimethylsilane
CID 10540448
(R)-N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoro-1-pyridin-2-ylpropan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879191
(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-phenylmethoxyhexan-3-ol
CID 10546896
(2S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-6-en-2-ol
CID 24749437
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-1-ylethyl]-2-methylpropane-2-sulfinamide
CID 102250228
(2R,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,4-tris[(4-methoxyphenyl)methoxy]pentan-2-amine
CID 11828294
(R)-2-methyl-N-[(1S)-1-phenyl-4-trimethylsilylbut-3-ynyl]propane-2-sulfinamide
CID 134943259

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide (CID 56935062) is (R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide is COCO[C@H](C#C[Si](C)(C)C)[C@@H](N[S@](=O)C(C)(C)C)[C@H](OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of (R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is GVWOKKNEJMUDEE-KCFOKZEWSA-N. The full InChI is InChI=1S/C36H59NO6SSi2/c1-35(2,3)44(38)37-33(31(42-28-39-7)23-24-45(8,9)10)34(41-26-30-21-17-14-18-22-30)32(27-43-46(11,12)36(4,5)6)40-25-29-19-15-13-16-20-29/h13-22,31-34,37H,25-28H2,1-12H3/t31-,32-,33-,34-,44-/m1/s1.
What are the key properties of (R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 690.11 g/mol, XLogP of 7.47, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3R,4R,5S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5,6-bis(phenylmethoxy)-1-trimethylsilylhept-1-yn-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 56935062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).