Home > Compound List > Compound details
156732-15-9 molecular structure
click picture or here to close

(2S,3S,5S)-5-amino-2-(benzylamino)-1,6-diphenylhexan-3-ol

ChemBase ID: 796517
Molecular Formular: C25H30N2O
Molecular Mass: 374.5185
Monoisotopic Mass: 374.23581359
SMILES and InChIs

SMILES:
C([C@@H]([C@H](C[C@H](Cc1ccccc1)N)O)NCc1ccccc1)c1ccccc1
Canonical SMILES:
N[C@H](C[C@@H]([C@H](Cc1ccccc1)NCc1ccccc1)O)Cc1ccccc1
InChI:
InChI=1S/C25H30N2O/c26-23(16-20-10-4-1-5-11-20)18-25(28)24(17-21-12-6-2-7-13-21)27-19-22-14-8-3-9-15-22/h1-15,23-25,27-28H,16-19,26H2/t23-,24-,25-/m0/s1
InChIKey:
XJQKCRJVAIXEBV-SDHOMARFSA-N

Cite this record

CBID:796517 http://www.chembase.cn/molecule-796517.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,3S,5S)-5-amino-2-(benzylamino)-1,6-diphenylhexan-3-ol
IUPAC Traditional name
(2S,3S,5S)-5-amino-2-(benzylamino)-1,6-diphenylhexan-3-ol
Synonyms
(2S,3S,5S)-5-AMino-2-(benzylaMino)-1,6-diphenylhexan-3-ol
CAS Number
156732-15-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3176 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O3176 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.542218  H Acceptors
H Donor LogD (pH = 5.5) -1.8751191 
LogD (pH = 7.4) -0.033842206  Log P 4.3100386 
Molar Refractivity 116.1593 cm3 Polarizability 46.027348 Å3
Polar Surface Area 58.28 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle