(3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol

C6H9N3O3 — CID 160728491

IUPAC(3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
SMILES[N-]=[N+]=N[C@H]1C(CO)OC=C[C@H]1O
InChIInChI=1S/C6H9N3O3/c7-9-8-6-4(11)1-2-12-5(6)3-10/h1-2,4-6,10-11H,3H2/t4-,5?,6-/m1/s1
InChIKeyPFUHZIHZQHNOFQ-SPWIIUKKSA-N
MW171.16 g/mol
LogP-0.07
Rot. Bonds2

About (3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol

(3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol (PubChem CID 160728491) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is (3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
PubChem CID160728491
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name(3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol
SMILES[N-]=[N+]=N[C@H]1C(CO)OC=C[C@H]1O
InChIInChI=1S/C6H9N3O3/c7-9-8-6-4(11)1-2-12-5(6)3-10/h1-2,4-6,10-11H,3H2/t4-,5?,6-/m1/s1
InChIKeyPFUHZIHZQHNOFQ-SPWIIUKKSA-N
XLogP-0.07
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2R)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 163959935
(3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane
CID 159753385
(1R,2R,3S,4R)-3-azidocyclohex-5-ene-1,2,4-triol
CID 130980047
4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
CID 12775534
(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
CID 10466374
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
(2S,4S,5R)-4-azido-2-chloro-6-(hydroxymethyl)oxane-3,5-diol
CID 140821044
(2S,4R)-4-azido-2-[(3R,5R)-4-azido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
CID 118679943
(2R,3R,5R)-5-azido-2-(hydroxymethyl)oxolan-3-ol
CID 151447306

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol (CID 160728491) is (3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol is [N-]=[N+]=N[C@H]1C(CO)OC=C[C@H]1O.
What is the InChIKey of (3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is PFUHZIHZQHNOFQ-SPWIIUKKSA-N. The full InChI is InChI=1S/C6H9N3O3/c7-9-8-6-4(11)1-2-12-5(6)3-10/h1-2,4-6,10-11H,3H2/t4-,5?,6-/m1/s1.
What are the key properties of (3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol?
(3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 171.16 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-azido-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 160728491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).