[(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate

C58H71NO7Si3 — CID 11491561

IUPAC[(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate
SMILESCC(=O)N[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)=O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C58H71NO7Si3/c1-43(60)59-52-54(65-68(57(6,7)8,47-34-22-14-23-35-47)48-36-24-15-25-37-48)53(64-55(52)66-69(58(9,10)11,49-38-26-16-27-39-49)50-40-28-17-29-41-50)51(63-44(2)61)42-62-67(56(3,4)5,45-30-18-12-19-31-45)46-32-20-13-21-33-46/h12-41,51-55H,42H2,1-11H3,(H,59,60)/t51-,52-,53+,54-,55+/m1/s1
InChIKeyKBDDMZWIJWOWBT-UZQUDJGMSA-N
MW978.46 g/mol
LogP8.25
Rot. Bonds16

About [(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate

[(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate (PubChem CID 11491561) has the molecular formula C58H71NO7Si3 and a molecular weight of 978.46 g/mol. Its IUPAC name is [(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate.

Molecular Properties

Compound Name[(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate
PubChem CID11491561
Molecular FormulaC58H71NO7Si3
Molecular Weight978.46 g/mol
Exact Mass977.45
IUPAC Name[(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate
SMILESCC(=O)N[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)=O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C58H71NO7Si3/c1-43(60)59-52-54(65-68(57(6,7)8,47-34-22-14-23-35-47)48-36-24-15-25-37-48)53(64-55(52)66-69(58(9,10)11,49-38-26-16-27-39-49)50-40-28-17-29-41-50)51(63-44(2)61)42-62-67(56(3,4)5,45-30-18-12-19-31-45)46-32-20-13-21-33-46/h12-41,51-55H,42H2,1-11H3,(H,59,60)/t51-,52-,53+,54-,55+/m1/s1
InChIKeyKBDDMZWIJWOWBT-UZQUDJGMSA-N
XLogP8.25
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.46
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate with MolForge

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Related Compounds

N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-difluorophenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
CID 10653190
N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(4-fluorophenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide
CID 10747860
TfaNH(-2d)[TMS(-3)][TMS(-4)][TMS(-6)]Glc(b)-O-TBDPS
CID 102223977
N-[(4aR,6S,7R,8R,8aS)-2,2-ditert-butyl-8-[tert-butyl(diphenyl)silyl]oxy-6-propan-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-7-yl]-2,2,2-trifluoroacetamide
CID 177474340
N-[(2R,4R,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S,4S,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-2-prop-2-enoxyoxan-3-yl]acetamide
CID 58153210
2-(Acetylamino)-2-deoxy-6-O-[(1,1-dimethylethyl)diphenylsilyl]-1,3:4,5-bis-O-(1-methylethylidene)-D-mannitol
CID 69655539
N-[(2R,5R)-4,5-dibutoxy-6-(butoxymethyl)-2-[5-[hydroxy(diphenyl)silyl]-5-methylhexoxy]oxan-3-yl]acetamide
CID 71130913
[(3R,6R)-5-acetamido-3,4-diacetyloxy-6-[5-[hydroxy(diphenyl)silyl]-5-methylhexoxy]oxan-2-yl]methyl acetate
CID 71130914
N-[(2R,4R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S,4S,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-2-prop-2-enoxyoxan-3-yl]acetamide
CID 88974956
N-[(2R,4R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(2S,4S,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-2-prop-2-enoxyoxan-3-yl]acetamide;iodomethane
CID 123499090
N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 155766775
[5-Acetamido-3,4-diacetyloxy-6-[7-[hydroxy(diphenyl)silyl]-7-methyloctoxy]oxan-2-yl]methyl acetate
CID 168106416

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate?
The IUPAC name of [(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate (CID 11491561) is [(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate.
What is the SMILES notation for [(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate?
The canonical SMILES for [(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate is CC(=O)N[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)=O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate?
The InChIKey is KBDDMZWIJWOWBT-UZQUDJGMSA-N. The full InChI is InChI=1S/C58H71NO7Si3/c1-43(60)59-52-54(65-68(57(6,7)8,47-34-22-14-23-35-47)48-36-24-15-25-37-48)53(64-55(52)66-69(58(9,10)11,49-38-26-16-27-39-49)50-40-28-17-29-41-50)51(63-44(2)61)42-62-67(56(3,4)5,45-30-18-12-19-31-45)46-32-20-13-21-33-46/h12-41,51-55H,42H2,1-11H3,(H,59,60)/t51-,52-,53+,54-,55+/m1/s1.
What are the key properties of [(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate?
[(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate has a molecular weight of 978.46 g/mol, XLogP of 8.25, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S,3R,4R,5S)-4-acetamido-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]oxolan-2-yl]-2-[tert-butyl(diphenyl)silyl]oxyethyl] acetate is sourced from PubChem (CID 11491561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).