[3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate

C31H38Cl3NO10Si — CID 11679278

IUPAC[3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(NC(=O)OCC(Cl)(Cl)Cl)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C31H38Cl3NO10Si/c1-19(36)40-17-24-26(42-20(2)37)27(43-21(3)38)25(35-29(39)41-18-31(32,33)34)28(44-24)45-46(30(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,24-28H,17-18H2,1-6H3,(H,35,39)
InChIKeyUVTNUAUJVSLOTK-UHFFFAOYSA-N
MW719.09 g/mol
LogP4.18
Rot. Bonds10

About [3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate

[3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate (PubChem CID 11679278) has the molecular formula C31H38Cl3NO10Si and a molecular weight of 719.09 g/mol. Its IUPAC name is [3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate
PubChem CID11679278
Molecular FormulaC31H38Cl3NO10Si
Molecular Weight719.09 g/mol
Exact Mass717.13
IUPAC Name[3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(NC(=O)OCC(Cl)(Cl)Cl)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C31H38Cl3NO10Si/c1-19(36)40-17-24-26(42-20(2)37)27(43-21(3)38)25(35-29(39)41-18-31(32,33)34)28(44-24)45-46(30(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,24-28H,17-18H2,1-6H3,(H,35,39)
InChIKeyUVTNUAUJVSLOTK-UHFFFAOYSA-N
XLogP4.18
TPSA135.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500719.09
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate?
The IUPAC name of [3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate (CID 11679278) is [3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate.
What is the SMILES notation for [3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate?
The canonical SMILES for [3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate is CC(=O)OCC1OC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(NC(=O)OCC(Cl)(Cl)Cl)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate?
The InChIKey is UVTNUAUJVSLOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38Cl3NO10Si/c1-19(36)40-17-24-26(42-20(2)37)27(43-21(3)38)25(35-29(39)41-18-31(32,33)34)28(44-24)45-46(30(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,24-28H,17-18H2,1-6H3,(H,35,39).
What are the key properties of [3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate?
[3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate has a molecular weight of 719.09 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-diacetyloxy-6-[tert-butyl(diphenyl)silyl]oxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate is sourced from PubChem (CID 11679278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).