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15548-61-5 | β-D-Glucopyranoside, 6-bromo-2-naphthalenyl
CAS No: 15548-61-5 Catalog No: AG001NYI MDL No:MFCD00063007
Product Description
Catalog Number:
AG001NYI
Chemical Name:
β-D-Glucopyranoside, 6-bromo-2-naphthalenyl
CAS Number:
15548-61-5
Molecular Formula:
C16H17BrO6
Molecular Weight:
385.2066
MDL Number:
MFCD00063007
IUPAC Name:
(2S,3R,4S,5S,6R)-2-(6-bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2/t12-,13-,14+,15-,16-/m1/s1
InChI Key:
NLRXQZJJCPRATR-IBEHDNSVSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc3c(c2)ccc(c3)Br)[C@@H]([C@H]([C@@H]1O)O)O
EC Number:
239-604-6
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
384.021g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
385.21g/mol
Monoisotopic Mass:
384.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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