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124167-45-9 | 2H-1-Benzopyran-2-one, 4-methyl-7-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl]oxy]-
CAS No: 124167-45-9 Catalog No: AG000LLJ MDL No:MFCD08703860
Product Description
Catalog Number:
AG000LLJ
Chemical Name:
2H-1-Benzopyran-2-one, 4-methyl-7-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl]oxy]-
CAS Number:
124167-45-9
Molecular Formula:
C24H27NO11
Molecular Weight:
505.4713
MDL Number:
MFCD08703860
IUPAC Name:
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl acetate
InChI:
InChI=1S/C24H27NO11/c1-11-8-20(30)35-18-9-16(6-7-17(11)18)34-24-21(25-12(2)26)23(33-15(5)29)22(32-14(4)28)19(36-24)10-31-13(3)27/h6-9,19,21-24H,10H2,1-5H3,(H,25,26)/t19-,21-,22-,23-,24-/m1/s1
InChI Key:
UXRGMYFQEBYUQU-JTYPQFNSSA-N
SMILES:
CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)NC(=O)C
Properties
Complexity:
916
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
505.158g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
505.476g/mol
Monoisotopic Mass:
505.158g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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