(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol

C22H29N3O4Si — CID 89404958

IUPAC(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C22H29N3O4Si/c1-22(2,3)30(15-10-6-4-7-11-15,16-12-8-5-9-13-16)21-18(24-25-23)20(28)19(27)17(14-26)29-21/h4-13,17-21,26-28H,14H2,1-3H3/t17-,18-,19-,20-,21+/m1/s1
InChIKeyODPCGAJKZDHANX-ONUIULTDSA-N
MW427.58 g/mol
LogP1.75
Rot. Bonds5

About (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 89404958) has the molecular formula C22H29N3O4Si and a molecular weight of 427.58 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID89404958
Molecular FormulaC22H29N3O4Si
Molecular Weight427.58 g/mol
Exact Mass427.19
IUPAC Name(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C22H29N3O4Si/c1-22(2,3)30(15-10-6-4-7-11-15,16-12-8-5-9-13-16)21-18(24-25-23)20(28)19(27)17(14-26)29-21/h4-13,17-21,26-28H,14H2,1-3H3/t17-,18-,19-,20-,21+/m1/s1
InChIKeyODPCGAJKZDHANX-ONUIULTDSA-N
XLogP1.75
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.58
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol (CID 89404958) is (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is ODPCGAJKZDHANX-ONUIULTDSA-N. The full InChI is InChI=1S/C22H29N3O4Si/c1-22(2,3)30(15-10-6-4-7-11-15,16-12-8-5-9-13-16)21-18(24-25-23)20(28)19(27)17(14-26)29-21/h4-13,17-21,26-28H,14H2,1-3H3/t17-,18-,19-,20-,21+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 427.58 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 89404958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).