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

C24H45NO8Si — CID 10481209

IUPACtert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C24H45NO8Si/c1-21(2,3)32-20(27)25-15(13-26)17(33-34(11,12)22(4,5)6)19-18(30-24(9,10)31-19)16-14-28-23(7,8)29-16/h13,15-19H,14H2,1-12H3,(H,25,27)/t15-,16+,17+,18+,19+/m0/s1
InChIKeyILMGZQVPURVVND-UURKPOQGSA-N
MW503.71 g/mol
LogP4.14
Rot. Bonds7

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

tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate (PubChem CID 10481209) has the molecular formula C24H45NO8Si and a molecular weight of 503.71 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate
PubChem CID10481209
Molecular FormulaC24H45NO8Si
Molecular Weight503.71 g/mol
Exact Mass503.29
IUPAC Nametert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C24H45NO8Si/c1-21(2,3)32-20(27)25-15(13-26)17(33-34(11,12)22(4,5)6)19-18(30-24(9,10)31-19)16-14-28-23(7,8)29-16/h13,15-19H,14H2,1-12H3,(H,25,27)/t15-,16+,17+,18+,19+/m0/s1
InChIKeyILMGZQVPURVVND-UURKPOQGSA-N
XLogP4.14
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.71
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-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 tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate (CID 10481209) is tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate?
The InChIKey is ILMGZQVPURVVND-UURKPOQGSA-N. The full InChI is InChI=1S/C24H45NO8Si/c1-21(2,3)32-20(27)25-15(13-26)17(33-34(11,12)22(4,5)6)19-18(30-24(9,10)31-19)16-14-28-23(7,8)29-16/h13,15-19H,14H2,1-12H3,(H,25,27)/t15-,16+,17+,18+,19+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate?
tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate has a molecular weight of 503.71 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 10481209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).