(1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol

C12H23N3O5Si — CID 101437067

IUPAC(1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@]1(O)N=[N+]=[N-]
InChIInChI=1S/C12H23N3O5Si/c1-11(2,3)21(4,5)20-9-8(16)7-6-18-10(19-7)12(9,17)14-15-13/h7-10,16-17H,6H2,1-5H3/t7-,8-,9+,10-,12-/m1/s1
InChIKeySCAYDOTZCGFLRL-WSOSLHDDSA-N
MW317.42 g/mol
LogP1.49
Rot. Bonds3

About (1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol

(1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol (PubChem CID 101437067) has the molecular formula C12H23N3O5Si and a molecular weight of 317.42 g/mol. Its IUPAC name is (1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol.

Molecular Properties

Compound Name(1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
PubChem CID101437067
Molecular FormulaC12H23N3O5Si
Molecular Weight317.42 g/mol
Exact Mass317.14
IUPAC Name(1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@]1(O)N=[N+]=[N-]
InChIInChI=1S/C12H23N3O5Si/c1-11(2,3)21(4,5)20-9-8(16)7-6-18-10(19-7)12(9,17)14-15-13/h7-10,16-17H,6H2,1-5H3/t7-,8-,9+,10-,12-/m1/s1
InChIKeySCAYDOTZCGFLRL-WSOSLHDDSA-N
XLogP1.49
TPSA116.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.49
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'}

Analyze (1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol with MolForge

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Related Compounds

(1R,2S,3R,4R,5R)-4-azido-2-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 156777454
(1S,3S,4R,5S,7S,8R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dioxatricyclo[3.3.1.13,7]decane-1,3-diol
CID 139060551
methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate
CID 100984961
(1R,2S,3R,4R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 11254343
(4aR,6R,7R,8R,8aS)-6-azido-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 100931385
methyl (2S,3S,4R,5R)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 100984962
methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate
CID 102474541
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(hydroxymethyl)cyclohexane-1,4-diol
CID 11761328
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyoxolane-3-carboxylate
CID 67078588
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The IUPAC name of (1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol (CID 101437067) is (1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol.
What is the SMILES notation for (1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The canonical SMILES for (1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@]1(O)N=[N+]=[N-].
What is the InChIKey of (1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The InChIKey is SCAYDOTZCGFLRL-WSOSLHDDSA-N. The full InChI is InChI=1S/C12H23N3O5Si/c1-11(2,3)21(4,5)20-9-8(16)7-6-18-10(19-7)12(9,17)14-15-13/h7-10,16-17H,6H2,1-5H3/t7-,8-,9+,10-,12-/m1/s1.
What are the key properties of (1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
(1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol has a molecular weight of 317.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol is sourced from PubChem (CID 101437067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).