2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate

C33H55NO12Si — CID 10699771

IUPAC2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate
SMILESCOC[C@H]1O[C@@H](N(C(=O)OCC[Si](C)(C)C)C(=O)[C@@H](OCc2ccccc2)[C@@]2(OC)C[C@@H](O)[C@@H](C)[C@@H](C)O2)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C33H55NO12Si/c1-21-22(2)46-33(42-7,18-24(21)35)29(44-19-23-14-12-11-13-15-23)30(36)34(32(37)43-16-17-47(8,9)10)31-28(41-6)27(40-5)26(39-4)25(45-31)20-38-3/h11-15,21-22,24-29,31,35H,16-20H2,1-10H3/t21-,22+,24+,25+,26+,27-,28+,29+,31+,33+/m0/s1
InChIKeyFKOIRUQJYCWFQC-SBYADACDSA-N
MW685.88 g/mol
LogP3.44
Rot. Bonds15

About 2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate

2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate (PubChem CID 10699771) has the molecular formula C33H55NO12Si and a molecular weight of 685.88 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate
PubChem CID10699771
Molecular FormulaC33H55NO12Si
Molecular Weight685.88 g/mol
Exact Mass685.35
IUPAC Name2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate
SMILESCOC[C@H]1O[C@@H](N(C(=O)OCC[Si](C)(C)C)C(=O)[C@@H](OCc2ccccc2)[C@@]2(OC)C[C@@H](O)[C@@H](C)[C@@H](C)O2)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C33H55NO12Si/c1-21-22(2)46-33(42-7,18-24(21)35)29(44-19-23-14-12-11-13-15-23)30(36)34(32(37)43-16-17-47(8,9)10)31-28(41-6)27(40-5)26(39-4)25(45-31)20-38-3/h11-15,21-22,24-29,31,35H,16-20H2,1-10H3/t21-,22+,24+,25+,26+,27-,28+,29+,31+,33+/m0/s1
InChIKeyFKOIRUQJYCWFQC-SBYADACDSA-N
XLogP3.44
TPSA140.68 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.88
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate (CID 10699771) is 2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate is COC[C@H]1O[C@@H](N(C(=O)OCC[Si](C)(C)C)C(=O)[C@@H](OCc2ccccc2)[C@@]2(OC)C[C@@H](O)[C@@H](C)[C@@H](C)O2)[C@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of 2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate?
The InChIKey is FKOIRUQJYCWFQC-SBYADACDSA-N. The full InChI is InChI=1S/C33H55NO12Si/c1-21-22(2)46-33(42-7,18-24(21)35)29(44-19-23-14-12-11-13-15-23)30(36)34(32(37)43-16-17-47(8,9)10)31-28(41-6)27(40-5)26(39-4)25(45-31)20-38-3/h11-15,21-22,24-29,31,35H,16-20H2,1-10H3/t21-,22+,24+,25+,26+,27-,28+,29+,31+,33+/m0/s1.
What are the key properties of 2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate?
2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate has a molecular weight of 685.88 g/mol, XLogP of 3.44, 15 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(2S)-2-[(2R,4R,5R,6R)-4-hydroxy-2-methoxy-5,6-dimethyloxan-2-yl]-2-phenylmethoxyacetyl]-N-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]carbamate is sourced from PubChem (CID 10699771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).