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129461-18-3 | D-Mannose, 4,4'-O-[2-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]amino]-1,3-propanediyl]bis-
CAS No: 129461-18-3 Catalog No: AG000Z5U MDL No:
Product Description
Catalog Number:
AG000Z5U
Chemical Name:
D-Mannose, 4,4'-O-[2-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]amino]-1,3-propanediyl]bis-
CAS Number:
129461-18-3
Molecular Formula:
C24H32F3N3O13
Molecular Weight:
627.5184
IUPAC Name:
4-[3-(trifluoromethyl)diazirin-3-yl]-N-[1-[(2R,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-[(3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxypropan-2-yl]benzamide
InChI:
InChI=1S/C24H32F3N3O13/c25-24(26,27)23(29-30-23)10-3-1-9(2-4-10)20(37)28-11(7-40-18-12(5-31)42-21(38)16(35)14(18)33)8-41-19-13(6-32)43-22(39)17(36)15(19)34/h1-4,11-19,21-22,31-36,38-39H,5-8H2,(H,28,37)/t11?,12-,13?,14?,15-,16?,17-,18-,19-,21-,22-/m1/s1
InChI Key:
NPJHSWNPVIJJGQ-KKFGKDTFSA-N
SMILES:
OC[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)OCC(C[C@]([C@@H]([C@@H](C=O)O)O)([C@@H](CO)O)O)NC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F)O
Properties
Complexity:
927
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
627.189g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
627.523g/mol
Monoisotopic Mass:
627.189g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
253A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
Literature
| Title | Journal |
|---|---|
| Glucose transporter asymmetries in the bovine blood-brain barrier. | The Journal of biological chemistry 20010420 |
| GLUT4 overexpression in db/db mice dose-dependently ameliorates diabetes but is not a lifelong cure. | Diabetes 20010301 |
| Trafficking of glucose transporters in 3T3-L1 cells. Inhibition of trafficking by phenylarsine oxide implicates a slow dissociation of transporters from trafficking proteins. | The Biochemical journal 19920201 |
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