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198215-62-2 | β-D-Fructopyranose, 4,5-O-[(1S)-2-hydroxy-1-methylethylidene]-2,3-O-(1-methylethylidene)-, 1-sulfamate
CAS No: 198215-62-2 Catalog No: AG002BDM MDL No:
Product Description
Catalog Number:
AG002BDM
Chemical Name:
β-D-Fructopyranose, 4,5-O-[(1S)-2-hydroxy-1-methylethylidene]-2,3-O-(1-methylethylidene)-, 1-sulfamate
CAS Number:
198215-62-2
Molecular Formula:
C12H21NO9S
Molecular Weight:
355.3614
IUPAC Name:
[(1R,2S,6S,9R,11R)-11-(hydroxymethyl)-4,4,11-trimethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate
InChI:
InChI=1S/C12H21NO9S/c1-10(2)21-9-8-7(19-11(3,5-14)20-8)4-17-12(9,22-10)6-18-23(13,15)16/h7-9,14H,4-6H2,1-3H3,(H2,13,15,16)/t7-,8-,9+,11-,12+/m1/s1
InChI Key:
RWNDWLAEFHRSEG-VZSYODPGSA-N
SMILES:
OC[C@]1(C)O[C@H]2[C@@H](O1)[C@@H]1OC(O[C@@]1(OC2)COS(=O)(=O)N)(C)C
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
355.094g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.358g/mol
Monoisotopic Mass:
355.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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