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1279691-36-9 | α-D-Glucopyranoside, methyl 1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-
CAS No: 1279691-36-9 Catalog No: AG000XLL MDL No:
Product Description
Catalog Number:
AG000XLL
Chemical Name:
α-D-Glucopyranoside, methyl 1-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-
CAS Number:
1279691-36-9
Molecular Formula:
C24H29ClO8
Molecular Weight:
480.9353
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
InChI:
InChI=1S/C24H29ClO8/c1-30-24(23(29)22(28)21(27)20(12-26)33-24)16-4-7-19(25)15(11-16)10-14-2-5-17(6-3-14)32-18-8-9-31-13-18/h2-7,11,18,20-23,26-29H,8-10,12-13H2,1H3/t18-,20+,21+,22-,23+,24-/m0/s1
InChI Key:
YIVKIDWTTVMRBY-JZTXWIGVSA-N
SMILES:
OC[C@H]1O[C@@](OC)(c2ccc(c(c2)Cc2ccc(cc2)O[C@@H]2COCC2)Cl)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
480.155g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
480.938g/mol
Monoisotopic Mass:
480.155g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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