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156117-44-1 | β-D-Glucopyranoside, 6-chloro-1H-indol-3-yl 2-(acetylamino)-2-deoxy-
CAS No: 156117-44-1 Catalog No: AG001OJ9 MDL No:MFCD04972051
Product Description
Catalog Number:
AG001OJ9
Chemical Name:
β-D-Glucopyranoside, 6-chloro-1H-indol-3-yl 2-(acetylamino)-2-deoxy-
CAS Number:
156117-44-1
Molecular Formula:
C16H19ClN2O6
Molecular Weight:
370.7849
MDL Number:
MFCD04972051
IUPAC Name:
N-[(2S,3R,4R,5S,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI:
InChI=1S/C16H19ClN2O6/c1-7(21)19-13-15(23)14(22)12(6-20)25-16(13)24-11-5-18-10-4-8(17)2-3-9(10)11/h2-5,12-16,18,20,22-23H,6H2,1H3,(H,19,21)/t12-,13-,14-,15-,16-/m1/s1
InChI Key:
BPAUSWAPDXGBCS-OXGONZEZSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2c[nH]c3c2ccc(c3)Cl)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
370.093g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
370.786g/mol
Monoisotopic Mass:
370.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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