[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate

C13H13NO6 — CID 89234953

IUPAC[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate
SMILESO=Nc1ccc(OC(=O)O[C@H]2COC3OCCC32)cc1
InChIInChI=1S/C13H13NO6/c15-13(19-9-3-1-8(14-16)2-4-9)20-11-7-18-12-10(11)5-6-17-12/h1-4,10-12H,5-7H2/t10?,11-,12?/m0/s1
InChIKeyOQHYLZRFUCDCQT-CXQJBGSLSA-N
MW279.25 g/mol
LogP2.36
Rot. Bonds3

About [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate

[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate (PubChem CID 89234953) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate.

Molecular Properties

Compound Name[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate
PubChem CID89234953
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Name[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate
SMILESO=Nc1ccc(OC(=O)O[C@H]2COC3OCCC32)cc1
InChIInChI=1S/C13H13NO6/c15-13(19-9-3-1-8(14-16)2-4-9)20-11-7-18-12-10(11)5-6-17-12/h1-4,10-12H,5-7H2/t10?,11-,12?/m0/s1
InChIKeyOQHYLZRFUCDCQT-CXQJBGSLSA-N
XLogP2.36
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate?
The IUPAC name of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate (CID 89234953) is [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate.
What is the SMILES notation for [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate?
The canonical SMILES for [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate is O=Nc1ccc(OC(=O)O[C@H]2COC3OCCC32)cc1.
What is the InChIKey of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate?
The InChIKey is OQHYLZRFUCDCQT-CXQJBGSLSA-N. The full InChI is InChI=1S/C13H13NO6/c15-13(19-9-3-1-8(14-16)2-4-9)20-11-7-18-12-10(11)5-6-17-12/h1-4,10-12H,5-7H2/t10?,11-,12?/m0/s1.
What are the key properties of [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate?
[(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate has a molecular weight of 279.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (4-nitrosophenyl) carbonate is sourced from PubChem (CID 89234953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).