(3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one

C16H35NO6Si3 — CID 177482496

IUPAC(3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one
SMILESCO/N=C1\C(=O)O[C@@H]([C@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C16H35NO6Si3/c1-19-17-13-15(23-26(8,9)10)14(21-16(13)18)12(22-25(5,6)7)11-20-24(2,3)4/h12,14-15H,11H2,1-10H3/b17-13-/t12-,14-,15-/m0/s1
InChIKeyHGUXLJFEHRQBOG-OUWHLROYSA-N
MW421.72 g/mol
LogP3.21
Rot. Bonds9

About (3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one

(3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one (PubChem CID 177482496) has the molecular formula C16H35NO6Si3 and a molecular weight of 421.72 g/mol. Its IUPAC name is (3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one.

Molecular Properties

Compound Name(3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one
PubChem CID177482496
Molecular FormulaC16H35NO6Si3
Molecular Weight421.72 g/mol
Exact Mass421.18
IUPAC Name(3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one
SMILESCO/N=C1\C(=O)O[C@@H]([C@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C16H35NO6Si3/c1-19-17-13-15(23-26(8,9)10)14(21-16(13)18)12(22-25(5,6)7)11-20-24(2,3)4/h12,14-15H,11H2,1-10H3/b17-13-/t12-,14-,15-/m0/s1
InChIKeyHGUXLJFEHRQBOG-OUWHLROYSA-N
XLogP3.21
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.72
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one?
The IUPAC name of (3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one (CID 177482496) is (3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one.
What is the SMILES notation for (3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one?
The canonical SMILES for (3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one is CO/N=C1\C(=O)O[C@@H]([C@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of (3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one?
The InChIKey is HGUXLJFEHRQBOG-OUWHLROYSA-N. The full InChI is InChI=1S/C16H35NO6Si3/c1-19-17-13-15(23-26(8,9)10)14(21-16(13)18)12(22-25(5,6)7)11-20-24(2,3)4/h12,14-15H,11H2,1-10H3/b17-13-/t12-,14-,15-/m0/s1.
What are the key properties of (3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one?
(3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one has a molecular weight of 421.72 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4S,5R)-5-[(1S)-1,2-bis(trimethylsilyloxy)ethyl]-3-methoxyimino-4-trimethylsilyloxyoxolan-2-one is sourced from PubChem (CID 177482496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).