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123000-02-2 | 5H,17H-1,23:11,13-Diethano-2H,14H-[1,11]dioxacycloeicosino[2,3-b:12,13-b']dipyridine, eicosahydro-,(1R,4aR,11S,12aR,13R,16aR,23S,24aR)-
CAS No: 123000-02-2 Catalog No: AG01DPLC MDL No:MFCD08062189
Product Description
Catalog Number:
AG01DPLC
Chemical Name:
5H,17H-1,23:11,13-Diethano-2H,14H-[1,11]dioxacycloeicosino[2,3-b:12,13-b']dipyridine, eicosahydro-,(1R,4aR,11S,12aR,13R,16aR,23S,24aR)-
CAS Number:
123000-02-2
Molecular Formula:
C28H50N2O2
Molecular Weight:
446.7088
MDL Number:
MFCD08062189
IUPAC Name:
(8S,10R,15R,22S,29R,32R)-32-methyl-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontan-1-ol
InChI:
InChI=1S/C29H52N2O3/c1-23-22-31-19-10-13-24-12-6-2-3-7-14-25-16-21-30-20-11-18-29(32,28(30)33-25)17-9-5-4-8-15-26(23)34-27(24)31/h23-28,32H,2-22H2,1H3/t23-,24-,25+,26+,27-,28-,29?/m1/s1
InChI Key:
VJEURJNEIZLTJG-BZFKMGMNSA-N
SMILES:
C1CCC[C@H]2CCCN3[C@@H]2O[C@H](CCCCCC[C@@H]2[C@H]4OC(CC1)CCN4CCC2)CC3
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
476.398g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
476.746g/mol
Monoisotopic Mass:
476.398g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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