(3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C6H9NO4 — CID 134550950

IUPAC(3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESO=NC1CO[C@@H]2[C@H](O)CO[C@H]12
InChIInChI=1S/C6H9NO4/c8-4-2-11-5-3(7-9)1-10-6(4)5/h3-6,8H,1-2H2/t3?,4-,5-,6-/m1/s1
InChIKeyFJRZYJHZTYZJKQ-YMFWUOAHSA-N
MW159.14 g/mol
LogP-0.72
Rot. Bonds1

About (3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

(3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 134550950) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID134550950
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESO=NC1CO[C@@H]2[C@H](O)CO[C@H]12
InChIInChI=1S/C6H9NO4/c8-4-2-11-5-3(7-9)1-10-6(4)5/h3-6,8H,1-2H2/t3?,4-,5-,6-/m1/s1
InChIKeyFJRZYJHZTYZJKQ-YMFWUOAHSA-N
XLogP-0.72
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of (3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 134550950) is (3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for (3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for (3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is O=NC1CO[C@@H]2[C@H](O)CO[C@H]12.
What is the InChIKey of (3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is FJRZYJHZTYZJKQ-YMFWUOAHSA-N. The full InChI is InChI=1S/C6H9NO4/c8-4-2-11-5-3(7-9)1-10-6(4)5/h3-6,8H,1-2H2/t3?,4-,5-,6-/m1/s1.
What are the key properties of (3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 159.14 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-3-nitroso-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 134550950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).