(3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C11H19NO4 — CID 155501808

IUPAC(3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NC1CCOCC1
InChIInChI=1S/C11H19NO4/c13-9-6-16-10-8(5-15-11(9)10)12-7-1-3-14-4-2-7/h7-13H,1-6H2/t8-,9-,10-,11-/m1/s1
InChIKeySMPSDTZTJUSDKY-GWOFURMSSA-N
MW229.28 g/mol
LogP-0.72
Rot. Bonds2

About (3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

(3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 155501808) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID155501808
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NC1CCOCC1
InChIInChI=1S/C11H19NO4/c13-9-6-16-10-8(5-15-11(9)10)12-7-1-3-14-4-2-7/h7-13H,1-6H2/t8-,9-,10-,11-/m1/s1
InChIKeySMPSDTZTJUSDKY-GWOFURMSSA-N
XLogP-0.72
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of (3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 155501808) is (3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for (3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for (3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2NC1CCOCC1.
What is the InChIKey of (3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is SMPSDTZTJUSDKY-GWOFURMSSA-N. The full InChI is InChI=1S/C11H19NO4/c13-9-6-16-10-8(5-15-11(9)10)12-7-1-3-14-4-2-7/h7-13H,1-6H2/t8-,9-,10-,11-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 229.28 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-3-(oxan-4-ylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 155501808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).