(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol

C17H18N2O2 — CID 126673587

IUPAC(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol
SMILESN[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O
InChIInChI=1S/C17H18N2O2/c18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19/h1-8,13,16-17,20H,9-10,18H2/t13-,16+,17+/m1/s1
InChIKeyLDWNWGDWFQVTII-COXVUDFISA-N
MW282.34 g/mol
LogP2.05
Rot. Bonds1

About (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol

(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol (PubChem CID 126673587) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol.

Molecular Properties

Compound Name(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol
PubChem CID126673587
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol
SMILESN[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O
InChIInChI=1S/C17H18N2O2/c18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19/h1-8,13,16-17,20H,9-10,18H2/t13-,16+,17+/m1/s1
InChIKeyLDWNWGDWFQVTII-COXVUDFISA-N
XLogP2.05
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol?
The IUPAC name of (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol (CID 126673587) is (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol.
What is the SMILES notation for (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol?
The canonical SMILES for (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol is N[C@@H]1COC[C@H](n2c3ccccc3c3ccccc32)[C@H]1O.
What is the InChIKey of (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol?
The InChIKey is LDWNWGDWFQVTII-COXVUDFISA-N. The full InChI is InChI=1S/C17H18N2O2/c18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19/h1-8,13,16-17,20H,9-10,18H2/t13-,16+,17+/m1/s1.
What are the key properties of (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol?
(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol has a molecular weight of 282.34 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol is sourced from PubChem (CID 126673587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).