(6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol

C10H13NO3 — CID 55297577

IUPAC(6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol
SMILESN[C@H]1CCc2c(cc(O)c(O)c2O)C1
InChIInChI=1S/C10H13NO3/c11-6-1-2-7-5(3-6)4-8(12)10(14)9(7)13/h4,6,12-14H,1-3,11H2/t6-/m0/s1
InChIKeyWJXSUFMNWCUPRB-LURJTMIESA-N
MW195.22 g/mol
LogP0.62
Rot. Bonds

About (6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol

(6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol (PubChem CID 55297577) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol.

Molecular Properties

Compound Name(6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol
PubChem CID55297577
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol
SMILESN[C@H]1CCc2c(cc(O)c(O)c2O)C1
InChIInChI=1S/C10H13NO3/c11-6-1-2-7-5(3-6)4-8(12)10(14)9(7)13/h4,6,12-14H,1-3,11H2/t6-/m0/s1
InChIKeyWJXSUFMNWCUPRB-LURJTMIESA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol?
The IUPAC name of (6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol (CID 55297577) is (6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol.
What is the SMILES notation for (6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol?
The canonical SMILES for (6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol is N[C@H]1CCc2c(cc(O)c(O)c2O)C1.
What is the InChIKey of (6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol?
The InChIKey is WJXSUFMNWCUPRB-LURJTMIESA-N. The full InChI is InChI=1S/C10H13NO3/c11-6-1-2-7-5(3-6)4-8(12)10(14)9(7)13/h4,6,12-14H,1-3,11H2/t6-/m0/s1.
What are the key properties of (6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol?
(6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol has a molecular weight of 195.22 g/mol, XLogP of 0.62, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-amino-5,6,7,8-tetrahydronaphthalene-1,2,3-triol is sourced from PubChem (CID 55297577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).