(6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol

C7H13NO3 — CID 46226820

IUPAC(6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol
SMILESO[C@@H]1[C@@H](O)C2(CC2)NC[C@@H]1O
InChIInChI=1S/C7H13NO3/c9-4-3-8-7(1-2-7)6(11)5(4)10/h4-6,8-11H,1-3H2/t4-,5-,6+/m0/s1
InChIKeyVCFIPARMELTEKE-HCWXCVPCSA-N
MW159.19 g/mol
LogP-1.80
Rot. Bonds

About (6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol

(6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol (PubChem CID 46226820) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol.

Molecular Properties

Compound Name(6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol
PubChem CID46226820
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol
SMILESO[C@@H]1[C@@H](O)C2(CC2)NC[C@@H]1O
InChIInChI=1S/C7H13NO3/c9-4-3-8-7(1-2-7)6(11)5(4)10/h4-6,8-11H,1-3H2/t4-,5-,6+/m0/s1
InChIKeyVCFIPARMELTEKE-HCWXCVPCSA-N
XLogP-1.80
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol?
The IUPAC name of (6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol (CID 46226820) is (6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol.
What is the SMILES notation for (6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol?
The canonical SMILES for (6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol is O[C@@H]1[C@@H](O)C2(CC2)NC[C@@H]1O.
What is the InChIKey of (6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol?
The InChIKey is VCFIPARMELTEKE-HCWXCVPCSA-N. The full InChI is InChI=1S/C7H13NO3/c9-4-3-8-7(1-2-7)6(11)5(4)10/h4-6,8-11H,1-3H2/t4-,5-,6+/m0/s1.
What are the key properties of (6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol?
(6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol has a molecular weight of 159.19 g/mol, XLogP of -1.80, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8S)-4-azaspiro[2.5]octane-6,7,8-triol is sourced from PubChem (CID 46226820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).