N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C26H37NO7Si — CID 155766775

IUPACN-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(OCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C26H37NO7Si/c1-18(29)27-22-24(31)23(30)21(17-28)34-25(22)32-15-16-33-35(26(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21-25,28,30-31H,15-17H2,1-4H3,(H,27,29)/t21-,22-,23+,24-,25?/m1/s1
InChIKeyFQGMWOBVZDPYQV-BIFUOPDKSA-N
MW503.67 g/mol
LogP0.52
Rot. Bonds9

About N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 155766775) has the molecular formula C26H37NO7Si and a molecular weight of 503.67 g/mol. Its IUPAC name is N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID155766775
Molecular FormulaC26H37NO7Si
Molecular Weight503.67 g/mol
Exact Mass503.23
IUPAC NameN-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(OCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C26H37NO7Si/c1-18(29)27-22-24(31)23(30)21(17-28)34-25(22)32-15-16-33-35(26(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21-25,28,30-31H,15-17H2,1-4H3,(H,27,29)/t21-,22-,23+,24-,25?/m1/s1
InChIKeyFQGMWOBVZDPYQV-BIFUOPDKSA-N
XLogP0.52
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.67
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide
CID 7074901
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]acetamide
CID 11872077
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-phenylbutoxy)oxan-3-yl]acetamide
CID 16103127
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
TrocNH(-2d)[TBDPS(-6)]Glc(b)-O-TBDMS
CID 11399829
TBDPS(-3)[TBDPS(-6)]Galf2NAc5Ac(b)-O-TBDPS
CID 11491561
Triphenylsilyl-chitin
CID 129851630
TBDPS(-6)GlcNAc(b)-O-Bn
CID 139255575
Gal2Ac3Ac4Ac6Ac(b1-4)[TBDPS(-6)]GlcNAc(b)-N3
CID 162406393
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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 155766775) is N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)N[C@H]1C(OCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is FQGMWOBVZDPYQV-BIFUOPDKSA-N. The full InChI is InChI=1S/C26H37NO7Si/c1-18(29)27-22-24(31)23(30)21(17-28)34-25(22)32-15-16-33-35(26(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,21-25,28,30-31H,15-17H2,1-4H3,(H,27,29)/t21-,22-,23+,24-,25?/m1/s1.
What are the key properties of N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 503.67 g/mol, XLogP of 0.52, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5R,6R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 155766775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).