N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide

C56H69NO6Si3 — CID 11240036

IUPACN-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C56H69NO6Si3/c1-42(58)57-50-52(62-65(55(5,6)7,45-33-21-13-22-34-45)46-35-23-14-24-36-46)51(59)49(41-60-64(54(2,3)4,43-29-17-11-18-30-43)44-31-19-12-20-32-44)61-53(50)63-66(56(8,9)10,47-37-25-15-26-38-47)48-39-27-16-28-40-48/h11-40,49-53,59H,41H2,1-10H3,(H,57,58)/t49-,50-,51-,52-,53+/m1/s1
InChIKeyVAGFYBRALCCQRJ-IXSLWHSPSA-N
MW936.43 g/mol
LogP7.68
Rot. Bonds14

About N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide

N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide (PubChem CID 11240036) has the molecular formula C56H69NO6Si3 and a molecular weight of 936.43 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide
PubChem CID11240036
Molecular FormulaC56H69NO6Si3
Molecular Weight936.43 g/mol
Exact Mass935.44
IUPAC NameN-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C56H69NO6Si3/c1-42(58)57-50-52(62-65(55(5,6)7,45-33-21-13-22-34-45)46-35-23-14-24-36-46)51(59)49(41-60-64(54(2,3)4,43-29-17-11-18-30-43)44-31-19-12-20-32-44)61-53(50)63-66(56(8,9)10,47-37-25-15-26-38-47)48-39-27-16-28-40-48/h11-40,49-53,59H,41H2,1-10H3,(H,57,58)/t49-,50-,51-,52-,53+/m1/s1
InChIKeyVAGFYBRALCCQRJ-IXSLWHSPSA-N
XLogP7.68
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.43
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

TrocNH(-2d)[TBDPS(-6)]Glc(b)-O-TBDMS
CID 11399829
TBDPS(-3)[TBDPS(-6)]Galf2NAc5Ac(b)-O-TBDPS
CID 11491561
Triphenylsilyl-chitin
CID 129851630
Gal2Ac3Ac4Ac6Ac(b1-4)[TBDPS(-6)]GlcNAc(b)-N3
CID 162406393
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)[TBDPS(-6)]a-Glc1Me
CID 101248139
N-[(3R,4R,5S,6R)-2-[tert-butyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)-phenylsilyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 101271151
N-[(3aR,4R,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-2,2,2-trifluoroacetamide
CID 101704239
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
TrocNH(-2d)Hex-O-TBDPS
CID 11678766
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide (CID 11240036) is N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide is CC(=O)N[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide?
The InChIKey is VAGFYBRALCCQRJ-IXSLWHSPSA-N. The full InChI is InChI=1S/C56H69NO6Si3/c1-42(58)57-50-52(62-65(55(5,6)7,45-33-21-13-22-34-45)46-35-23-14-24-36-46)51(59)49(41-60-64(54(2,3)4,43-29-17-11-18-30-43)44-31-19-12-20-32-44)61-53(50)63-66(56(8,9)10,47-37-25-15-26-38-47)48-39-27-16-28-40-48/h11-40,49-53,59H,41H2,1-10H3,(H,57,58)/t49-,50-,51-,52-,53+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide?
N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide has a molecular weight of 936.43 g/mol, XLogP of 7.68, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5R,6R)-2,4-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 11240036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).