(1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol

C6H11NO4 — CID 67699212

IUPAC(1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
SMILESN[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O
InChIInChI=1S/C6H11NO4/c7-3-4(8)2-1-10-6(11-2)5(3)9/h2-6,8-9H,1,7H2/t2-,3+,4-,5-,6-/m1/s1
InChIKeyPWSKXRKZLJHEKE-AIECOIEWSA-N
MW161.16 g/mol
LogP-2.21
Rot. Bonds

About (1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol

(1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol (PubChem CID 67699212) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol.

Molecular Properties

Compound Name(1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
PubChem CID67699212
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
SMILESN[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O
InChIInChI=1S/C6H11NO4/c7-3-4(8)2-1-10-6(11-2)5(3)9/h2-6,8-9H,1,7H2/t2-,3+,4-,5-,6-/m1/s1
InChIKeyPWSKXRKZLJHEKE-AIECOIEWSA-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

Analyze (1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The IUPAC name of (1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol (CID 67699212) is (1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol.
What is the SMILES notation for (1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The canonical SMILES for (1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol is N[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O.
What is the InChIKey of (1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
The InChIKey is PWSKXRKZLJHEKE-AIECOIEWSA-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/t2-,3+,4-,5-,6-/m1/s1.
What are the key properties of (1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol?
(1R,2S,3S,4R,5R)-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 (1R,2S,3S,4R,5R)-3-amino-6,8-dioxabicyclo[3.2.1]octane-2,4-diol is sourced from PubChem (CID 67699212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).