(3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol

C17H15Cl2NO3 — CID 126530816

IUPAC(3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol
SMILESO[C@H]1[C@@H](O)COC[C@@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C17H15Cl2NO3/c18-9-1-3-13-11(5-9)12-6-10(19)2-4-14(12)20(13)15-7-23-8-16(21)17(15)22/h1-6,15-17,21-22H,7-8H2/t15-,16-,17+/m0/s1
InChIKeyITQNRYNXJUJADF-YESZJQIVSA-N
MW352.22 g/mol
LogP3.39
Rot. Bonds1

About (3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol

(3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol (PubChem CID 126530816) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is (3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol
PubChem CID126530816
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name(3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol
SMILESO[C@H]1[C@@H](O)COC[C@@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C17H15Cl2NO3/c18-9-1-3-13-11(5-9)12-6-10(19)2-4-14(12)20(13)15-7-23-8-16(21)17(15)22/h1-6,15-17,21-22H,7-8H2/t15-,16-,17+/m0/s1
InChIKeyITQNRYNXJUJADF-YESZJQIVSA-N
XLogP3.39
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol?
The IUPAC name of (3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol (CID 126530816) is (3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol.
What is the SMILES notation for (3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol?
The canonical SMILES for (3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol is O[C@H]1[C@@H](O)COC[C@@H]1n1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of (3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol?
The InChIKey is ITQNRYNXJUJADF-YESZJQIVSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c18-9-1-3-13-11(5-9)12-6-10(19)2-4-14(12)20(13)15-7-23-8-16(21)17(15)22/h1-6,15-17,21-22H,7-8H2/t15-,16-,17+/m0/s1.
What are the key properties of (3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol?
(3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol has a molecular weight of 352.22 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol is sourced from PubChem (CID 126530816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).