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123706-60-5 | β-D-Galactopyranoside, 2-chloro-4-nitrophenyl
CAS No: 123706-60-5 Catalog No: AG000KYO MDL No:MFCD00064018
Product Description
Catalog Number:
AG000KYO
Chemical Name:
β-D-Galactopyranoside, 2-chloro-4-nitrophenyl
CAS Number:
123706-60-5
Molecular Formula:
C12H14ClNO8
Molecular Weight:
335.6945
MDL Number:
MFCD00064018
IUPAC Name:
(2S,3R,4S,5R,6R)-2-(2-chloro-4-nitrophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C12H14ClNO8/c13-6-3-5(14(19)20)1-2-7(6)21-12-11(18)10(17)9(16)8(4-15)22-12/h1-3,8-12,15-18H,4H2/t8-,9+,10+,11-,12-/m1/s1
InChI Key:
PJCVBKZRKNFZOD-YBXAARCKSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2Cl)[N+](=O)[O-])[C@@H]([C@H]([C@H]1O)O)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
335.041g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
335.693g/mol
Monoisotopic Mass:
335.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Using simple donors to drive the equilibria of glycosyltransferase-catalyzed reactions. | Nature chemical biology 20111001 |
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