(6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate

C6H8N2O6 — CID 73120914

IUPAC(6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate
SMILESO=[N+]([O-])OC1COC2C(=NO)COC12
InChIInChI=1S/C6H8N2O6/c9-7-3-1-12-6-4(14-8(10)11)2-13-5(3)6/h4-6,9H,1-2H2
InChIKeyMMXZZYXNQPOKFA-UHFFFAOYSA-N
MW204.14 g/mol
LogP-0.81
Rot. Bonds2

About (6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate

(6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate (PubChem CID 73120914) has the molecular formula C6H8N2O6 and a molecular weight of 204.14 g/mol. Its IUPAC name is (6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate.

Molecular Properties

Compound Name(6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate
PubChem CID73120914
Molecular FormulaC6H8N2O6
Molecular Weight204.14 g/mol
Exact Mass204.04
IUPAC Name(6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate
SMILESO=[N+]([O-])OC1COC2C(=NO)COC12
InChIInChI=1S/C6H8N2O6/c9-7-3-1-12-6-4(14-8(10)11)2-13-5(3)6/h4-6,9H,1-2H2
InChIKeyMMXZZYXNQPOKFA-UHFFFAOYSA-N
XLogP-0.81
TPSA103.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(oxiran-2-ylmethoxyimino)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl] nitrate
CID 88652651
[(6aR)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 16757692
[(3S,3aS,6R,6aR)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 13019155
[6-[3-(tert-butylamino)-2-hydroxypropoxy]imino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl] nitrate
CID 72728557
[(3R,3aS,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 7048690
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
CID 67718674
[(3R,3aR,6S,6aS)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 10655277
[(3R,3aR,6S,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 22862650
[(3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] hydrogen carbonate
CID 68664701
[(3R,3aS,6S,6aS)-6-sulfanyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] nitrate disulfide
CID 87461078
[(3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 11183884
[(3S,3aR,6S,6aS)-3-(dimethylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CID 3067630

Frequently Asked Questions

What is the IUPAC name of (6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate?
The IUPAC name of (6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate (CID 73120914) is (6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate.
What is the SMILES notation for (6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate?
The canonical SMILES for (6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate is O=[N+]([O-])OC1COC2C(=NO)COC12.
What is the InChIKey of (6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate?
The InChIKey is MMXZZYXNQPOKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O6/c9-7-3-1-12-6-4(14-8(10)11)2-13-5(3)6/h4-6,9H,1-2H2.
What are the key properties of (6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate?
(6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate has a molecular weight of 204.14 g/mol, XLogP of -0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxyimino-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl) nitrate is sourced from PubChem (CID 73120914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).