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42200-33-9

42200-33-9 | 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol

CAS No: 42200-33-9 Catalog No: AG003BOE MDL No:MFCD00079476

Product Description

Catalog Number:
AG003BOE
Chemical Name:
5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
CAS Number:
42200-33-9
Molecular Formula:
C17H27NO4
Molecular Weight:
309.4006
MDL Number:
MFCD00079476
IUPAC Name:
(2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
InChI:
InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
InChI Key:
VWPOSFSPZNDTMJ-UCWKZMIHSA-N
SMILES:
OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C
EC Number:
255-706-3
NSC Number:
758430

Properties

Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
309.194g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
309.406g/mol
Monoisotopic Mass:
309.194g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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