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1159637-28-1 | D-Glucopyranosylamine, N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)-4-O-β-D-glucopyranosyl-
CAS No: 1159637-28-1 Catalog No: AG000H8B MDL No:
Product Description
Catalog Number:
AG000H8B
Chemical Name:
D-Glucopyranosylamine, N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)-4-O-β-D-glucopyranosyl-
CAS Number:
1159637-28-1
Molecular Formula:
C24H41NO10
Molecular Weight:
503.5830
IUPAC Name:
(2S,4S,5R)-2-[(3S,4R,6R)-6-[(3,5-dimethyl-1-adamantyl)amino]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C24H41NO10/c1-22-3-11-4-23(2,8-22)10-24(5-11,9-22)25-20-17(31)16(30)19(13(7-27)33-20)35-21-18(32)15(29)14(28)12(6-26)34-21/h11-21,25-32H,3-10H2,1-2H3/t11?,12?,13?,14-,15-,16+,17?,18?,19+,20+,21-,22?,23?,24?/m0/s1
InChI Key:
IDHWSQNFOHZVMN-GFYLEGOJSA-N
SMILES:
OC[C@H]1OC(NC23CC4CC(C3)(CC(C2)(C4)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Properties
Complexity:
767
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
503.273g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
503.589g/mol
Monoisotopic Mass:
503.273g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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