(2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol

C16H24N6O6 — CID 102020779

IUPAC(2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol
SMILES[N-]=[N+]=N[C@@H]1[C@@H](O)[C@H]2OCCC[C@@H]2O[C@H]1[C@H]1O[C@H]2CCCO[C@@H]2[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C16H24N6O6/c17-21-19-9-11(23)13-7(3-1-5-25-13)27-15(9)16-10(20-22-18)12(24)14-8(28-16)4-2-6-26-14/h7-16,23-24H,1-6H2/t7-,8-,9+,10+,11+,12+,13-,14-,15-,16+/m0/s1
InChIKeyOIKZLTKUICUZLZ-AXDXUGCISA-N
MW396.40 g/mol
LogP0.96
Rot. Bonds3

About (2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol

(2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol (PubChem CID 102020779) has the molecular formula C16H24N6O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is (2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol.

Molecular Properties

Compound Name(2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol
PubChem CID102020779
Molecular FormulaC16H24N6O6
Molecular Weight396.40 g/mol
Exact Mass396.18
IUPAC Name(2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol
SMILES[N-]=[N+]=N[C@@H]1[C@@H](O)[C@H]2OCCC[C@@H]2O[C@H]1[C@H]1O[C@H]2CCCO[C@@H]2[C@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C16H24N6O6/c17-21-19-9-11(23)13-7(3-1-5-25-13)27-15(9)16-10(20-22-18)12(24)14-8(28-16)4-2-6-26-14/h7-16,23-24H,1-6H2/t7-,8-,9+,10+,11+,12+,13-,14-,15-,16+/m0/s1
InChIKeyOIKZLTKUICUZLZ-AXDXUGCISA-N
XLogP0.96
TPSA174.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 (2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol?
The IUPAC name of (2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol (CID 102020779) is (2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol.
What is the SMILES notation for (2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol?
The canonical SMILES for (2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol is [N-]=[N+]=N[C@@H]1[C@@H](O)[C@H]2OCCC[C@@H]2O[C@H]1[C@H]1O[C@H]2CCCO[C@@H]2[C@H](O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol?
The InChIKey is OIKZLTKUICUZLZ-AXDXUGCISA-N. The full InChI is InChI=1S/C16H24N6O6/c17-21-19-9-11(23)13-7(3-1-5-25-13)27-15(9)16-10(20-22-18)12(24)14-8(28-16)4-2-6-26-14/h7-16,23-24H,1-6H2/t7-,8-,9+,10+,11+,12+,13-,14-,15-,16+/m0/s1.
What are the key properties of (2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol?
(2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol has a molecular weight of 396.40 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,4aR,8aS)-2-[(2S,3R,4R,4aR,8aS)-3-azido-4-hydroxy-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]-3-azido-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol is sourced from PubChem (CID 102020779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).