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18323-43-8 | L-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4-ethyl-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-
CAS No: 18323-43-8 Catalog No: AG0027FM MDL No:MFCD22572719
Product Description
Catalog Number:
AG0027FM
Chemical Name:
L-threo-α-D-galacto-Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[[(2S,4R)-4-ethyl-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-
CAS Number:
18323-43-8
Molecular Formula:
C17H31ClN2O5S
Molecular Weight:
410.9564
MDL Number:
MFCD22572719
IUPAC Name:
(2R)-N-[2-chloro-1-[(3R,4R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-ethyl-1-methylpyrrolidine-2-carboxamide
InChI:
InChI=1S/C17H31ClN2O5S/c1-5-9-6-10(20(3)7-9)16(24)19-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-4/h8-15,17,21-23H,5-7H2,1-4H3,(H,19,24)/t8?,9?,10-,11?,12-,13-,14?,15?,17-/m1/s1
InChI Key:
UHQYIIRIOVIPLI-QBFRQILCSA-N
SMILES:
CC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@@H](Cl)C)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
410.164g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
410.954g/mol
Monoisotopic Mass:
410.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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