N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide

C33H54F3NO6Si4 — CID 102223977

IUPACN-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(=O)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H54F3NO6Si4/c1-32(2,3)47(24-19-15-13-16-20-24,25-21-17-14-18-22-25)43-30-27(37-31(38)33(34,35)36)29(42-46(10,11)12)28(41-45(7,8)9)26(40-30)23-39-44(4,5)6/h13-22,26-30H,23H2,1-12H3,(H,37,38)/t26-,27-,28-,29-,30+/m1/s1
InChIKeyMVCDURJAQKZFBC-WYQCABFXSA-N
MW730.13 g/mol
LogP6.63
Rot. Bonds12

About N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide

N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 102223977) has the molecular formula C33H54F3NO6Si4 and a molecular weight of 730.13 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide
PubChem CID102223977
Molecular FormulaC33H54F3NO6Si4
Molecular Weight730.13 g/mol
Exact Mass729.30
IUPAC NameN-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(=O)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H54F3NO6Si4/c1-32(2,3)47(24-19-15-13-16-20-24,25-21-17-14-18-22-25)43-30-27(37-31(38)33(34,35)36)29(42-46(10,11)12)28(41-45(7,8)9)26(40-30)23-39-44(4,5)6/h13-22,26-30H,23H2,1-12H3,(H,37,38)/t26-,27-,28-,29-,30+/m1/s1
InChIKeyMVCDURJAQKZFBC-WYQCABFXSA-N
XLogP6.63
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.13
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[tert-butyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)-phenylsilyl]oxyoxan-2-yl]methyl acetate
CID 11787938
N-[(E,1R,4S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-2,2,2-trifluoroacetamide
CID 14354597
N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethyl]-2,2,2-trifluoroacetamide
CID 90339286
N-[(3aR,4R,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-2,2,2-trifluoroacetamide
CID 170982746
N-[(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxyoxan-3-yl]-2,2,2-trifluoroacetamide
CID 170982771
N-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]-2,2,2-trifluoroacetamide
CID 173794571
TBDPS(-3)[TBDPS(-6)]Galf2NAc5Ac(b)-O-TBDPS
CID 11491561
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
N-[(E,1R,4S)-1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-2,2,2-trifluoroacetamide
CID 23240833
TfaNH(-2d)[TBDPS(-6)]a-Glc1Me
CID 101248139
[(2R,3S,4R,5R)-5-acetamido-3,4-diacetyloxy-6-[tert-butyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)-phenylsilyl]oxyoxan-2-yl]methyl acetate
CID 101271150

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide (CID 102223977) is N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide is CC(C)(C)[Si](O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1NC(=O)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is MVCDURJAQKZFBC-WYQCABFXSA-N. The full InChI is InChI=1S/C33H54F3NO6Si4/c1-32(2,3)47(24-19-15-13-16-20-24,25-21-17-14-18-22-25)43-30-27(37-31(38)33(34,35)36)29(42-46(10,11)12)28(41-45(7,8)9)26(40-30)23-39-44(4,5)6/h13-22,26-30H,23H2,1-12H3,(H,37,38)/t26-,27-,28-,29-,30+/m1/s1.
What are the key properties of N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide?
N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 730.13 g/mol, XLogP of 6.63, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4R,5R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-4,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 102223977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).