(3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one

C22H27N3O5Si — CID 10575162

IUPAC(3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one
SMILESCC(C)(C)[Si](O[C@H]1[C@H]([C@@H](CO)N=[N+]=[N-])OC(=O)[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N3O5Si/c1-22(2,3)31(15-10-6-4-7-11-15,16-12-8-5-9-13-16)30-20-18(27)21(28)29-19(20)17(14-26)24-25-23/h4-13,17-20,26-27H,14H2,1-3H3/t17-,18+,19+,20-/m1/s1
InChIKeyRUWAIJZFYDICRW-FUMNGEBKSA-N
MW441.56 g/mol
LogP1.89
Rot. Bonds7

About (3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one

(3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one (PubChem CID 10575162) has the molecular formula C22H27N3O5Si and a molecular weight of 441.56 g/mol. Its IUPAC name is (3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one
PubChem CID10575162
Molecular FormulaC22H27N3O5Si
Molecular Weight441.56 g/mol
Exact Mass441.17
IUPAC Name(3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one
SMILESCC(C)(C)[Si](O[C@H]1[C@H]([C@@H](CO)N=[N+]=[N-])OC(=O)[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N3O5Si/c1-22(2,3)31(15-10-6-4-7-11-15,16-12-8-5-9-13-16)30-20-18(27)21(28)29-19(20)17(14-26)24-25-23/h4-13,17-20,26-27H,14H2,1-3H3/t17-,18+,19+,20-/m1/s1
InChIKeyRUWAIJZFYDICRW-FUMNGEBKSA-N
XLogP1.89
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one?
The IUPAC name of (3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one (CID 10575162) is (3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one.
What is the SMILES notation for (3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one?
The canonical SMILES for (3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one is CC(C)(C)[Si](O[C@H]1[C@H]([C@@H](CO)N=[N+]=[N-])OC(=O)[C@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one?
The InChIKey is RUWAIJZFYDICRW-FUMNGEBKSA-N. The full InChI is InChI=1S/C22H27N3O5Si/c1-22(2,3)31(15-10-6-4-7-11-15,16-12-8-5-9-13-16)30-20-18(27)21(28)29-19(20)17(14-26)24-25-23/h4-13,17-20,26-27H,14H2,1-3H3/t17-,18+,19+,20-/m1/s1.
What are the key properties of (3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one?
(3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one has a molecular weight of 441.56 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-[(1R)-1-azido-2-hydroxyethyl]-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoxolan-2-one is sourced from PubChem (CID 10575162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).