[(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane

C32H49N3O5Si2 — CID 10675251

IUPAC[(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)OC[C@H]([C@H]2O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2N=[N+]=[N-])O1
InChIInChI=1S/C32H49N3O5Si2/c1-30(2,3)41(9,10)40-29-25(38-28(27(29)34-35-33)26-21-36-32(7,8)39-26)22-37-42(31(4,5)6,23-17-13-11-14-18-23)24-19-15-12-16-20-24/h11-20,25-29H,21-22H2,1-10H3/t25-,26+,27+,28+,29-/m0/s1
InChIKeyOCWUAIKGSSNXJN-MJOVFQHFSA-N
MW611.93 g/mol
LogP6.55
Rot. Bonds9

About [(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 10675251) has the molecular formula C32H49N3O5Si2 and a molecular weight of 611.93 g/mol. Its IUPAC name is [(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID10675251
Molecular FormulaC32H49N3O5Si2
Molecular Weight611.93 g/mol
Exact Mass611.32
IUPAC Name[(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC1(C)OC[C@H]([C@H]2O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2N=[N+]=[N-])O1
InChIInChI=1S/C32H49N3O5Si2/c1-30(2,3)41(9,10)40-29-25(38-28(27(29)34-35-33)26-21-36-32(7,8)39-26)22-37-42(31(4,5)6,23-17-13-11-14-18-23)24-19-15-12-16-20-24/h11-20,25-29H,21-22H2,1-10H3/t25-,26+,27+,28+,29-/m0/s1
InChIKeyOCWUAIKGSSNXJN-MJOVFQHFSA-N
XLogP6.55
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.93
LogP ≤ 56.55
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'}

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Related Compounds

[(2R,3S,4S,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 172395990
[(2R,3S,4R,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 176302156
[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 42597620
[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 15858554
(3aR,5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol
CID 21099590
[(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 59765611
[(3aS,4R,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyldiazene
CID 60132739
[(3S,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 71072338
[(2S)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate
CID 91059800
(5S,6S,6aR)-6-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,3a,6a-tetramethyl-6H-furo[2,3-d][1,3]dioxol-5-ol
CID 91272017
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethyl] acetate
CID 146031834
(2R,3R,4R,5R)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol
CID 175907015

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 10675251) is [(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane is CC1(C)OC[C@H]([C@H]2O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2N=[N+]=[N-])O1.
What is the InChIKey of [(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is OCWUAIKGSSNXJN-MJOVFQHFSA-N. The full InChI is InChI=1S/C32H49N3O5Si2/c1-30(2,3)41(9,10)40-29-25(38-28(27(29)34-35-33)26-21-36-32(7,8)39-26)22-37-42(31(4,5)6,23-17-13-11-14-18-23)24-19-15-12-16-20-24/h11-20,25-29H,21-22H2,1-10H3/t25-,26+,27+,28+,29-/m0/s1.
What are the key properties of [(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 611.93 g/mol, XLogP of 6.55, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10675251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).