[(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol

C7H11N3O4 — CID 101103543

IUPAC[(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
SMILESCO[C@H]1O[C@@]2(CO)CO[C@@H]1[C@@H]2N=[N+]=[N-]
InChIInChI=1S/C7H11N3O4/c1-12-6-4-5(9-10-8)7(2-11,14-6)3-13-4/h4-6,11H,2-3H2,1H3/t4-,5+,6+,7+/m1/s1
InChIKeyLXYZUIWOEMGNLY-BWBBJGPYSA-N
MW201.18 g/mol
LogP-0.20
Rot. Bonds3

About [(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol

[(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol (PubChem CID 101103543) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is [(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol.

Molecular Properties

Compound Name[(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
PubChem CID101103543
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name[(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
SMILESCO[C@H]1O[C@@]2(CO)CO[C@@H]1[C@@H]2N=[N+]=[N-]
InChIInChI=1S/C7H11N3O4/c1-12-6-4-5(9-10-8)7(2-11,14-6)3-13-4/h4-6,11H,2-3H2,1H3/t4-,5+,6+,7+/m1/s1
InChIKeyLXYZUIWOEMGNLY-BWBBJGPYSA-N
XLogP-0.20
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol with MolForge

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Related Compounds

[(1R,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl acetate
CID 10681674
[(1S,4R,7S)-3-methoxy-7-[(4-methoxyphenyl)methoxy]-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 13009662
(7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl)methanol;rhenium
CID 59687274
CID 159631595
CID 159631595
[(1S,3S,4R)-7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 90132874
CID 88900507
CID 88900507
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(1S,4R,7S)-3-methoxy-7-phenylmethoxy-1-(phenylmethoxymethyl)-2,5-dioxabicyclo[2.2.1]heptane
CID 100938642
(2S,3R,4S,5R,6S)-5-azido-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 165349660
[(1S,3S,4S,5S,6S)-4-acetyloxy-1-(hydroxymethyl)-3-methoxy-2-oxabicyclo[4.1.0]heptan-5-yl] acetate
CID 10869484
5-amino-4-azido-6-methoxyoxan-3-ol
CID 14456147
[(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol
CID 123348073

Frequently Asked Questions

What is the IUPAC name of [(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol?
The IUPAC name of [(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol (CID 101103543) is [(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol.
What is the SMILES notation for [(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol?
The canonical SMILES for [(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol is CO[C@H]1O[C@@]2(CO)CO[C@@H]1[C@@H]2N=[N+]=[N-].
What is the InChIKey of [(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol?
The InChIKey is LXYZUIWOEMGNLY-BWBBJGPYSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-12-6-4-5(9-10-8)7(2-11,14-6)3-13-4/h4-6,11H,2-3H2,1H3/t4-,5+,6+,7+/m1/s1.
What are the key properties of [(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol?
[(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol has a molecular weight of 201.18 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S,4R,7S)-7-azido-3-methoxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol is sourced from PubChem (CID 101103543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).