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849938-20-1 | Phenyl 3,4-Di-O-acetyl-α-O-benzyl-1-thio-α-L-rhamnopyranoside
CAS No: 849938-20-1 Catalog No: AG004QD1 MDL No:
Product Description
Catalog Number:
AG004QD1
Chemical Name:
Phenyl 3,4-Di-O-acetyl-α-O-benzyl-1-thio-α-L-rhamnopyranoside
CAS Number:
849938-20-1
Molecular Formula:
C23H26O6S
Molecular Weight:
430.5139
IUPAC Name:
[(2S,3S,4R,5R,6S)-4-acetyloxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] acetate
InChI:
InChI=1S/C23H26O6S/c1-15-20(28-16(2)24)21(29-17(3)25)22(26-14-18-10-6-4-7-11-18)23(27-15)30-19-12-8-5-9-13-19/h4-13,15,20-23H,14H2,1-3H3/t15-,20-,21+,22+,23-/m0/s1
InChI Key:
OESKCJVZEVEFLO-JAGQFSKZSA-N
SMILES:
CC(=O)O[C@H]1[C@H](C)O[C@H]([C@@H]([C@@H]1OC(=O)C)OCc1ccccc1)Sc1ccccc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
430.145g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.515g/mol
Monoisotopic Mass:
430.145g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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