3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol

C6H11NO4 — CID 4867520

IUPAC3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
SMILESNC1C(O)C2COC(O2)C1O
InChIInChI=1S/C6H11NO4/c7-3-4(8)2-1-10-6(11-2)5(3)9/h2-6,8-9H,1,7H2
InChIKeyPWSKXRKZLJHEKE-UHFFFAOYSA-N
MW161.16 g/mol
LogP-2.21
Rot. Bonds

About 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol

3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol (PubChem CID 4867520) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol.

Molecular Properties

Compound Name3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
PubChem CID4867520
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
SMILESNC1C(O)C2COC(O2)C1O
InChIInChI=1S/C6H11NO4/c7-3-4(8)2-1-10-6(11-2)5(3)9/h2-6,8-9H,1,7H2
InChIKeyPWSKXRKZLJHEKE-UHFFFAOYSA-N
XLogP-2.21
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The IUPAC name of 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol (CID 4867520) is 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol.
What is the SMILES notation for 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The canonical SMILES for 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol is NC1C(O)C2COC(O2)C1O.
What is the InChIKey of 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The InChIKey is PWSKXRKZLJHEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c7-3-4(8)2-1-10-6(11-2)5(3)9/h2-6,8-9H,1,7H2.
What are the key properties of 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol has a molecular weight of 161.16 g/mol, XLogP of -2.21, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol is sourced from PubChem (CID 4867520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).