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119637-72-8 | α-D-Glucofuranose, 6-chloro-1,2-O-cyclohexylidene-6-deoxy-
CAS No: 119637-72-8 Catalog No: AG000PE7 MDL No:
Product Description
Catalog Number:
AG000PE7
Chemical Name:
α-D-Glucofuranose, 6-chloro-1,2-O-cyclohexylidene-6-deoxy-
CAS Number:
119637-72-8
Molecular Formula:
C12H19ClO5
Molecular Weight:
278.7293
IUPAC Name:
(2S,3R,4R)-2-[(1S)-2-chloro-1,2-dihydroxyethyl]-5-cyclohexylideneoxolane-3,4-diol
InChI:
InChI=1S/C12H19ClO5/c13-12(17)9(16)11-8(15)7(14)10(18-11)6-4-2-1-3-5-6/h7-9,11-12,14-17H,1-5H2/t7-,8-,9+,11+,12?/m1/s1
InChI Key:
GJENTPRDTKGKLQ-RCRUNXNXSA-N
SMILES:
OC([C@H]([C@H]1OC(=C2CCCCC2)[C@@H]([C@H]1O)O)O)Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
278.092g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
278.729g/mol
Monoisotopic Mass:
278.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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