[(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate

C28H34N2O8Si — CID 10745322

IUPAC[(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(NC(=O)CNC2=O)[C@H]1OC(C)=O
InChIInChI=1S/C28H34N2O8Si/c1-18(31)36-24-22(38-28(25(24)37-19(2)32)26(34)29-16-23(33)30-28)17-35-39(27(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22,24-25H,16-17H2,1-5H3,(H,29,34)(H,30,33)/t22-,24+,25+,28+/m1/s1
InChIKeyUUOOJXDXFGCRLF-VOGKQTDESA-N
MW554.67 g/mol
LogP0.77
Rot. Bonds7

About [(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate

[(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate (PubChem CID 10745322) has the molecular formula C28H34N2O8Si and a molecular weight of 554.67 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate
PubChem CID10745322
Molecular FormulaC28H34N2O8Si
Molecular Weight554.67 g/mol
Exact Mass554.21
IUPAC Name[(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(NC(=O)CNC2=O)[C@H]1OC(C)=O
InChIInChI=1S/C28H34N2O8Si/c1-18(31)36-24-22(38-28(25(24)37-19(2)32)26(34)29-16-23(33)30-28)17-35-39(27(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22,24-25H,16-17H2,1-5H3,(H,29,34)(H,30,33)/t22-,24+,25+,28+/m1/s1
InChIKeyUUOOJXDXFGCRLF-VOGKQTDESA-N
XLogP0.77
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.67
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

CID 176160008
CID 176160008
CID 25139530
CID 25139530
CID 25140969
CID 25140969
CID 100969840
CID 100969840
CID 101353452
CID 101353452
CID 177466548
CID 177466548
CID 177608057
CID 177608057

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate?
The IUPAC name of [(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate (CID 10745322) is [(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate is CC(=O)O[C@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(NC(=O)CNC2=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate?
The InChIKey is UUOOJXDXFGCRLF-VOGKQTDESA-N. The full InChI is InChI=1S/C28H34N2O8Si/c1-18(31)36-24-22(38-28(25(24)37-19(2)32)26(34)29-16-23(33)30-28)17-35-39(27(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22,24-25H,16-17H2,1-5H3,(H,29,34)(H,30,33)/t22-,24+,25+,28+/m1/s1.
What are the key properties of [(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate?
[(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate has a molecular weight of 554.67 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate is sourced from PubChem (CID 10745322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).