(3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one

C34H55N3O5Si3 — CID 10532469

IUPAC(3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N=[N+]=[N-])C(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H55N3O5Si3/c1-32(2,3)43(10,11)41-29-27(40-31(38)28(36-37-35)30(29)42-44(12,13)33(4,5)6)24-39-45(34(7,8)9,25-20-16-14-17-21-25)26-22-18-15-19-23-26/h14-23,27-30H,24H2,1-13H3/t27-,28-,29+,30-/m1/s1
InChIKeyXPVCWULKICFVMF-GKIKGMKOSA-N
MW670.09 g/mol
LogP7.95
Rot. Bonds10

About (3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one

(3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one (PubChem CID 10532469) has the molecular formula C34H55N3O5Si3 and a molecular weight of 670.09 g/mol. Its IUPAC name is (3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one.

Molecular Properties

Compound Name(3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
PubChem CID10532469
Molecular FormulaC34H55N3O5Si3
Molecular Weight670.09 g/mol
Exact Mass669.34
IUPAC Name(3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N=[N+]=[N-])C(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H55N3O5Si3/c1-32(2,3)43(10,11)41-29-27(40-31(38)28(36-37-35)30(29)42-44(12,13)33(4,5)6)24-39-45(34(7,8)9,25-20-16-14-17-21-25)26-22-18-15-19-23-26/h14-23,27-30H,24H2,1-13H3/t27-,28-,29+,30-/m1/s1
InChIKeyXPVCWULKICFVMF-GKIKGMKOSA-N
XLogP7.95
TPSA102.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.09
LogP ≤ 57.95
H-Bond Donors ≤ 50
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'}

Analyze (3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?
The IUPAC name of (3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one (CID 10532469) is (3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one.
What is the SMILES notation for (3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?
The canonical SMILES for (3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N=[N+]=[N-])C(=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?
The InChIKey is XPVCWULKICFVMF-GKIKGMKOSA-N. The full InChI is InChI=1S/C34H55N3O5Si3/c1-32(2,3)43(10,11)41-29-27(40-31(38)28(36-37-35)30(29)42-44(12,13)33(4,5)6)24-39-45(34(7,8)9,25-20-16-14-17-21-25)26-22-18-15-19-23-26/h14-23,27-30H,24H2,1-13H3/t27-,28-,29+,30-/m1/s1.
What are the key properties of (3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one?
(3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one has a molecular weight of 670.09 g/mol, XLogP of 7.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-3-azido-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one is sourced from PubChem (CID 10532469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).