CID 59537135

C12H16N2O5SSi2 — CID 59537135

IUPAC—
SMILESC[Si]N[C@@H]1C(=O)N2C(C(=O)O[Si]C)=C(COC(C)=O)CS[C@H]12
InChIInChI=1S/C12H16N2O5SSi2/c1-6(15)18-4-7-5-20-11-8(13-21-2)10(16)14(11)9(7)12(17)19-22-3/h8,11,13H,4-5H2,1-3H3/t8-,11-/m1/s1
InChIKeyFHPBFASFPNFDFB-LDYMZIIASA-N
MW356.51 g/mol
LogP-0.45
Rot. Bonds6

About CID 59537135

CID 59537135 (PubChem CID 59537135) has the molecular formula C12H16N2O5SSi2 and a molecular weight of 356.51 g/mol.

Molecular Properties

Compound NameCID 59537135
PubChem CID59537135
Molecular FormulaC12H16N2O5SSi2
Molecular Weight356.51 g/mol
Exact Mass356.03
IUPAC Name—
SMILESC[Si]N[C@@H]1C(=O)N2C(C(=O)O[Si]C)=C(COC(C)=O)CS[C@H]12
InChIInChI=1S/C12H16N2O5SSi2/c1-6(15)18-4-7-5-20-11-8(13-21-2)10(16)14(11)9(7)12(17)19-22-3/h8,11,13H,4-5H2,1-3H3/t8-,11-/m1/s1
InChIKeyFHPBFASFPNFDFB-LDYMZIIASA-N
XLogP-0.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(6S)-7-acetamido-3-(acetyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 54497140
trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 70425797
acetyloxymethyl (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[[2-(4-oxo-1-pyridinyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 70625332
acetyloxymethyl (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
CID 22797202
(6R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 70626917
tert-butyl (7R)-3-(acetyloxymethyl)-8-oxo-7-[(2,2,2-trifluoroacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 88705981
(6S,7R)-3-(acetyloxymethyl)-7-[(2-bromoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 54386342
(6S,7S)-3-(acetyloxymethyl)-8-oxo-7-(pentylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 70484840
(6R,7S)-3-(acetyloxymethyl)-7-[(4-chloro-3-oxobutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 22819002
(7-amino-2-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl acetate
CID 22184286
trimethylsilyl 3-(acetyloxymethyl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 58877677
2,2,2-trichloroethyl (6R,7R)-3-(acetyloxymethyl)-7-[(4-chlorobenzoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 54383317

Frequently Asked Questions

What is the IUPAC name of CID 59537135?
The IUPAC name of CID 59537135 (CID 59537135) is not available.
What is the SMILES notation for CID 59537135?
The canonical SMILES for CID 59537135 is C[Si]N[C@@H]1C(=O)N2C(C(=O)O[Si]C)=C(COC(C)=O)CS[C@H]12.
What is the InChIKey of CID 59537135?
The InChIKey is FHPBFASFPNFDFB-LDYMZIIASA-N. The full InChI is InChI=1S/C12H16N2O5SSi2/c1-6(15)18-4-7-5-20-11-8(13-21-2)10(16)14(11)9(7)12(17)19-22-3/h8,11,13H,4-5H2,1-3H3/t8-,11-/m1/s1.
What are the key properties of CID 59537135?
CID 59537135 has a molecular weight of 356.51 g/mol, XLogP of -0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59537135 is sourced from PubChem (CID 59537135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).