[(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate

C34H65NO6SSi3 — CID 10628505

IUPAC[(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate
SMILESCCS[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)NCc1ccccc1
InChIInChI=1S/C34H65NO6SSi3/c1-17-42-30-29(39-31(36)35-23-25-21-19-18-20-22-25)28(41-45(15,16)34(8,9)10)27(40-44(13,14)33(5,6)7)26(38-30)24-37-43(11,12)32(2,3)4/h18-22,26-30H,17,23-24H2,1-16H3,(H,35,36)/t26-,27-,28+,29-,30+/m1/s1
InChIKeyVTBWEHMOXCNBSJ-RLXMVLCYSA-N
MW700.22 g/mol
LogP9.56
Rot. Bonds12

About [(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate

[(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate (PubChem CID 10628505) has the molecular formula C34H65NO6SSi3 and a molecular weight of 700.22 g/mol. Its IUPAC name is [(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate
PubChem CID10628505
Molecular FormulaC34H65NO6SSi3
Molecular Weight700.22 g/mol
Exact Mass699.38
IUPAC Name[(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate
SMILESCCS[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)NCc1ccccc1
InChIInChI=1S/C34H65NO6SSi3/c1-17-42-30-29(39-31(36)35-23-25-21-19-18-20-22-25)28(41-45(15,16)34(8,9)10)27(40-44(13,14)33(5,6)7)26(38-30)24-37-43(11,12)32(2,3)4/h18-22,26-30H,17,23-24H2,1-16H3,(H,35,36)/t26-,27-,28+,29-,30+/m1/s1
InChIKeyVTBWEHMOXCNBSJ-RLXMVLCYSA-N
XLogP9.56
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.22
LogP ≤ 59.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(2S,3R,4S,5R,6R)-2-ethylsulfanyl-5-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]-4-(propan-2-ylcarbamoyloxy)oxan-3-yl] N-benzylcarbamate
CID 10816736
[(2S,3R,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(3-oxopentanoyloxymethyl)-5-phenylmethoxy-2-phenylsulfanyloxan-3-yl] benzoate
CID 101236706
[(2R,3S,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 73293533
N-benzyl-9-[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine
CID 135015311
[(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-(phenylmethoxymethyl)-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-yl]oxy-tri(propan-2-yl)silane
CID 102374439
2-(benzylamino)-9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one
CID 135491703
[(2R,3S,4S,5R,6S)-3-acetyloxy-5-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-6-phenylsulfanyloxan-2-yl]methyl benzoate
CID 11664564
[(2R,3S,4S,5R,6S)-5-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-ylsulfanyl-2-(trityloxymethyl)oxan-3-yl] benzoate
CID 11814755
3-[[(2R,3R,4S,5S,6R)-6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-oxopropanoic acid
CID 11444611
[(2R,3R,4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxy-6-phenylsulfanyl-3-tri(propan-2-yl)silyloxyoxan-2-yl]methyl acetate
CID 100979557
[(2S,3S,5R,6R)-2,6-diacetyloxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexyl] acetate
CID 10031871
[(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate
CID 10994736

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate?
The IUPAC name of [(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate (CID 10628505) is [(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate.
What is the SMILES notation for [(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate?
The canonical SMILES for [(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate is CCS[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)NCc1ccccc1.
What is the InChIKey of [(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate?
The InChIKey is VTBWEHMOXCNBSJ-RLXMVLCYSA-N. The full InChI is InChI=1S/C34H65NO6SSi3/c1-17-42-30-29(39-31(36)35-23-25-21-19-18-20-22-25)28(41-45(15,16)34(8,9)10)27(40-44(13,14)33(5,6)7)26(38-30)24-37-43(11,12)32(2,3)4/h18-22,26-30H,17,23-24H2,1-16H3,(H,35,36)/t26-,27-,28+,29-,30+/m1/s1.
What are the key properties of [(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate?
[(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate has a molecular weight of 700.22 g/mol, XLogP of 9.56, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethylsulfanyloxan-3-yl] N-benzylcarbamate is sourced from PubChem (CID 10628505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).