(1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol

C7H13NO4 — CID 10313337

IUPAC(1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
SMILESO[C@@H]1[C@@H](O)[C@H]2CC[C@](O)(N2)[C@@H]1O
InChIInChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6-,7-/m1/s1
InChIKeyFXFBVZOJVHCEDO-IECVIRLLSA-N
MW175.18 g/mol
LogP-2.48
Rot. Bonds

About (1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol

(1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol (PubChem CID 10313337) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
PubChem CID10313337
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
SMILESO[C@@H]1[C@@H](O)[C@H]2CC[C@](O)(N2)[C@@H]1O
InChIInChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6-,7-/m1/s1
InChIKeyFXFBVZOJVHCEDO-IECVIRLLSA-N
XLogP-2.48
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-2.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol?
The IUPAC name of (1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol (CID 10313337) is (1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol is O[C@@H]1[C@@H](O)[C@H]2CC[C@](O)(N2)[C@@H]1O.
What is the InChIKey of (1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol?
The InChIKey is FXFBVZOJVHCEDO-IECVIRLLSA-N. The full InChI is InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6-,7-/m1/s1.
What are the key properties of (1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol?
(1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol has a molecular weight of 175.18 g/mol, XLogP of -2.48, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol is sourced from PubChem (CID 10313337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).