(3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C6H8N6O2 — CID 133139298

IUPAC(3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILES[N-]=[N+]=N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2N=[N+]=[N-]
InChIInChI=1S/C6H8N6O2/c7-11-9-3-1-13-6-4(10-12-8)2-14-5(3)6/h3-6H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyVWLQAMUFRAITOR-ZXXMMSQZSA-N
MW196.17 g/mol
LogP1.14
Rot. Bonds2

About (3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 133139298) has the molecular formula C6H8N6O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is (3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID133139298
Molecular FormulaC6H8N6O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name(3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILES[N-]=[N+]=N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2N=[N+]=[N-]
InChIInChI=1S/C6H8N6O2/c7-11-9-3-1-13-6-4(10-12-8)2-14-5(3)6/h3-6H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyVWLQAMUFRAITOR-ZXXMMSQZSA-N
XLogP1.14
TPSA115.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
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

(3S,3aR,6R,6aR)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90042500
(1S,2R,6R,8R,9R)-9-azido-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane
CID 134857206
(2R,4R,5S)-5-azidooxane-2,3,4-triol
CID 58572353
(2R,3S,4S)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 54037403
(3R,4S)-3,4-diazidothiolane
CID 89359804
trans-(1S,2S)-1-(15N)azido-2-methylcyclopropane
CID 10749143
[(3R,4S,5S)-3-acetyloxy-5-azido-2-hydroxyoxan-4-yl] acetate
CID 132937524
(3S)-4-azido-3-methyloxane
CID 139456410
(3R,4R)-4-azido-2,3-dimethyloxane
CID 159925042
trans-(3R,4R)-3,4-diazidocyclopentan-1-ol
CID 173485365
2,5-diazidocyclopentan-1-ol
CID 85255446
(1S,2S,4S,5S)-2,5-diazidocyclohexane-1,4-diol
CID 131137989

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 133139298) is (3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is [N-]=[N+]=N[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2N=[N+]=[N-].
What is the InChIKey of (3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is VWLQAMUFRAITOR-ZXXMMSQZSA-N. The full InChI is InChI=1S/C6H8N6O2/c7-11-9-3-1-13-6-4(10-12-8)2-14-5(3)6/h3-6H,1-2H2/t3-,4-,5+,6+/m1/s1.
What are the key properties of (3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 196.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6R,6aS)-3,6-diazido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 133139298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).