(4S,5S)-5-azido-4,6-dimethyloxan-3-ol

C7H13N3O2 — CID 157349847

IUPAC(4S,5S)-5-azido-4,6-dimethyloxan-3-ol
SMILESCC1OCC(O)[C@@H](C)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C7H13N3O2/c1-4-6(11)3-12-5(2)7(4)9-10-8/h4-7,11H,3H2,1-2H3/t4-,5?,6?,7+/m1/s1
InChIKeyQUZHEQTXHSRDLY-BLOUUBGSSA-N
MW171.20 g/mol
LogP1.08
Rot. Bonds1

About (4S,5S)-5-azido-4,6-dimethyloxan-3-ol

(4S,5S)-5-azido-4,6-dimethyloxan-3-ol (PubChem CID 157349847) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (4S,5S)-5-azido-4,6-dimethyloxan-3-ol.

Molecular Properties

Compound Name(4S,5S)-5-azido-4,6-dimethyloxan-3-ol
PubChem CID157349847
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(4S,5S)-5-azido-4,6-dimethyloxan-3-ol
SMILESCC1OCC(O)[C@@H](C)[C@@H]1N=[N+]=[N-]
InChIInChI=1S/C7H13N3O2/c1-4-6(11)3-12-5(2)7(4)9-10-8/h4-7,11H,3H2,1-2H3/t4-,5?,6?,7+/m1/s1
InChIKeyQUZHEQTXHSRDLY-BLOUUBGSSA-N
XLogP1.08
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(4S,5S)-3-azido-2,4,5,6-tetramethyloxane
CID 161426107
5-amino-4-azido-6-methoxyoxan-3-ol
CID 14456147
cis-(1R,3S)-2-azidocyclopentane-1,3-diol
CID 130822614
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(1R,2R,6R,8R,9R,10R)-9-azido-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-10-ol
CID 11448257
[(4S,5S)-2-acetyloxy-5-azido-4,6-dimethyloxan-3-yl] acetate
CID 118933629
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
(3R,4R)-4-azido-2,3-dimethyloxane
CID 159925042
(2S,3R,5R)-2-[(2R,4S,5S)-3-azido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxy-3-methyl-6,8-dioxabicyclo[3.2.1]octan-4-ol
CID 167566265

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-azido-4,6-dimethyloxan-3-ol?
The IUPAC name of (4S,5S)-5-azido-4,6-dimethyloxan-3-ol (CID 157349847) is (4S,5S)-5-azido-4,6-dimethyloxan-3-ol.
What is the SMILES notation for (4S,5S)-5-azido-4,6-dimethyloxan-3-ol?
The canonical SMILES for (4S,5S)-5-azido-4,6-dimethyloxan-3-ol is CC1OCC(O)[C@@H](C)[C@@H]1N=[N+]=[N-].
What is the InChIKey of (4S,5S)-5-azido-4,6-dimethyloxan-3-ol?
The InChIKey is QUZHEQTXHSRDLY-BLOUUBGSSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-4-6(11)3-12-5(2)7(4)9-10-8/h4-7,11H,3H2,1-2H3/t4-,5?,6?,7+/m1/s1.
What are the key properties of (4S,5S)-5-azido-4,6-dimethyloxan-3-ol?
(4S,5S)-5-azido-4,6-dimethyloxan-3-ol has a molecular weight of 171.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-azido-4,6-dimethyloxan-3-ol is sourced from PubChem (CID 157349847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).