(3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol

C6H11NO3 — CID 122545932

IUPAC(3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol
SMILESN[C@@]12CCO[C@@H]1[C@H](O)CO2
InChIInChI=1S/C6H11NO3/c7-6-1-2-9-5(6)4(8)3-10-6/h4-5,8H,1-3,7H2/t4-,5-,6-/m1/s1
InChIKeyUVHZNWOCVQGJKU-HSUXUTPPSA-N
MW145.16 g/mol
LogP-1.18
Rot. Bonds

About (3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol

(3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol (PubChem CID 122545932) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol
PubChem CID122545932
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol
SMILESN[C@@]12CCO[C@@H]1[C@H](O)CO2
InChIInChI=1S/C6H11NO3/c7-6-1-2-9-5(6)4(8)3-10-6/h4-5,8H,1-3,7H2/t4-,5-,6-/m1/s1
InChIKeyUVHZNWOCVQGJKU-HSUXUTPPSA-N
XLogP-1.18
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol?
The IUPAC name of (3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol (CID 122545932) is (3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol.
What is the SMILES notation for (3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol?
The canonical SMILES for (3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol is N[C@@]12CCO[C@@H]1[C@H](O)CO2.
What is the InChIKey of (3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol?
The InChIKey is UVHZNWOCVQGJKU-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H11NO3/c7-6-1-2-9-5(6)4(8)3-10-6/h4-5,8H,1-3,7H2/t4-,5-,6-/m1/s1.
What are the key properties of (3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol?
(3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol has a molecular weight of 145.16 g/mol, XLogP of -1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-3a-amino-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-ol is sourced from PubChem (CID 122545932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).