tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate

About tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate

tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate (PubChem CID 11753439) has the molecular formula C30H44N2O7Si and a molecular weight of 572.78 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name	tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
PubChem CID	11753439
Molecular Formula	C30H44N2O7Si
Molecular Weight	572.78 g/mol
Exact Mass	572.29
IUPAC Name	tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
SMILES	CC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1COC(N)=O
InChI	InChI=1S/C30H44N2O7Si/c1-28(2,3)39-27(34)32-23(25-24(20-35-26(31)33)37-30(7,8)38-25)19-36-40(29(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-25H,19-20H2,1-8H3,(H2,31,33)(H,32,34)/t23-,24+,25+/m1/s1
InChIKey	UWRFWRRYOCYMRJ-DSITVLBTSA-N
XLogP	4.07
TPSA	118.34 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.78
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?

The IUPAC name of tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate (CID 11753439) is tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate is CC(C)(C)OC(=O)N[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1COC(N)=O.

What is the InChIKey of tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?

The InChIKey is UWRFWRRYOCYMRJ-DSITVLBTSA-N. The full InChI is InChI=1S/C30H44N2O7Si/c1-28(2,3)39-27(34)32-23(25-24(20-35-26(31)33)37-30(7,8)38-25)19-36-40(29(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-25H,19-20H2,1-8H3,(H2,31,33)(H,32,34)/t23-,24+,25+/m1/s1.

What are the key properties of tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?

tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate has a molecular weight of 572.78 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate is sourced from PubChem (CID 11753439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).