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125328-84-9 | β-L-Galactopyranoside, 5-bromo-4-chloro-1H-indol-3-yl 6-deoxy-
CAS No: 125328-84-9 Catalog No: AG000NID MDL No:MFCD00063688
Product Description
Catalog Number:
AG000NID
Chemical Name:
β-L-Galactopyranoside, 5-bromo-4-chloro-1H-indol-3-yl 6-deoxy-
CAS Number:
125328-84-9
Molecular Formula:
C14H15BrClNO5
Molecular Weight:
392.6296
MDL Number:
MFCD00063688
IUPAC Name:
(2R,3S,4R,5S,6S)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-methyloxane-3,4,5-triol
InChI:
InChI=1S/C14H15BrClNO5/c1-5-11(18)12(19)13(20)14(21-5)22-8-4-17-7-3-2-6(15)10(16)9(7)8/h2-5,11-14,17-20H,1H3/t5-,11+,12+,13-,14+/m0/s1
InChI Key:
ZMYJTGDNFZJYFN-FAKBCLHFSA-N
SMILES:
O[C@@H]1[C@H](O[C@H]([C@H]([C@H]1O)O)C)Oc1c[nH]c2c1c(Cl)c(cc2)Br
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
390.982g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
392.63g/mol
Monoisotopic Mass:
390.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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