[(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate

C29H42ClNO9Si — CID 177341722

IUPAC[(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](OCCOCCOCCCl)[C@@H](O)[C@@H](O)[C@@H]1OC(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H42ClNO9Si/c1-29(2,3)41(21-10-6-4-7-11-21,22-12-8-5-9-13-22)38-20-23-26(40-28(31)34)24(32)25(33)27(39-23)37-19-18-36-17-16-35-15-14-30/h4-13,23-27,32-33H,14-20H2,1-3H3,(H2,31,34)/t23-,24-,25+,26-,27+/m1/s1
InChIKeyQBWCXIACILQEJC-SEFGFODJSA-N
MW612.19 g/mol
LogP1.76
Rot. Bonds15

About [(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate

[(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate (PubChem CID 177341722) has the molecular formula C29H42ClNO9Si and a molecular weight of 612.19 g/mol. Its IUPAC name is [(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate.

Molecular Properties

Compound Name[(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate
PubChem CID177341722
Molecular FormulaC29H42ClNO9Si
Molecular Weight612.19 g/mol
Exact Mass611.23
IUPAC Name[(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](OCCOCCOCCCl)[C@@H](O)[C@@H](O)[C@@H]1OC(N)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H42ClNO9Si/c1-29(2,3)41(21-10-6-4-7-11-21,22-12-8-5-9-13-22)38-20-23-26(40-28(31)34)24(32)25(33)27(39-23)37-19-18-36-17-16-35-15-14-30/h4-13,23-27,32-33H,14-20H2,1-3H3,(H2,31,34)/t23-,24-,25+,26-,27+/m1/s1
InChIKeyQBWCXIACILQEJC-SEFGFODJSA-N
XLogP1.76
TPSA138.93 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.19
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate 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 [(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate?
The IUPAC name of [(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate (CID 177341722) is [(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate.
What is the SMILES notation for [(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate?
The canonical SMILES for [(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate is CC(C)(C)[Si](OC[C@H]1O[C@H](OCCOCCOCCCl)[C@@H](O)[C@@H](O)[C@@H]1OC(N)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate?
The InChIKey is QBWCXIACILQEJC-SEFGFODJSA-N. The full InChI is InChI=1S/C29H42ClNO9Si/c1-29(2,3)41(21-10-6-4-7-11-21,22-12-8-5-9-13-22)38-20-23-26(40-28(31)34)24(32)25(33)27(39-23)37-19-18-36-17-16-35-15-14-30/h4-13,23-27,32-33H,14-20H2,1-3H3,(H2,31,34)/t23-,24-,25+,26-,27+/m1/s1.
What are the key properties of [(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate?
[(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate has a molecular weight of 612.19 g/mol, XLogP of 1.76, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4,5-dihydroxyoxan-3-yl] carbamate is sourced from PubChem (CID 177341722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).