(2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol

C17H23NO4 — CID 22852317

IUPAC(2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol
SMILESC[C@H](NCc1ccc2ccccc2c1)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C17H23NO4/c1-11(16(21)17(22)15(20)10-19)18-9-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,11,15-22H,9-10H2,1H3/t11-,15-,16-,17-/m0/s1
InChIKeyPFVBBHQOPMMXLT-SPOWBLRKSA-N
MW305.37 g/mol
LogP0.39
Rot. Bonds7

About (2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol

(2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol (PubChem CID 22852317) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol
PubChem CID22852317
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol
SMILESC[C@H](NCc1ccc2ccccc2c1)[C@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C17H23NO4/c1-11(16(21)17(22)15(20)10-19)18-9-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,11,15-22H,9-10H2,1H3/t11-,15-,16-,17-/m0/s1
InChIKeyPFVBBHQOPMMXLT-SPOWBLRKSA-N
XLogP0.39
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 50.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol 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 (2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol?
The IUPAC name of (2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol (CID 22852317) is (2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol is C[C@H](NCc1ccc2ccccc2c1)[C@H](O)[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol?
The InChIKey is PFVBBHQOPMMXLT-SPOWBLRKSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11(16(21)17(22)15(20)10-19)18-9-12-6-7-13-4-2-3-5-14(13)8-12/h2-8,11,15-22H,9-10H2,1H3/t11-,15-,16-,17-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol?
(2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol has a molecular weight of 305.37 g/mol, XLogP of 0.39, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-5-(naphthalen-2-ylmethylamino)hexane-1,2,3,4-tetrol is sourced from PubChem (CID 22852317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).