Home Other Building Blocks 4-METHYLUMBELLIFERYL-BETA-D-FUCOPYRANOSIDE

4-METHYLUMBELLIFERYL-BETA-D-FUCOPYRANOSIDE

CAS No.:
55487-93-9
Catalog Number:
AG00DA32
Molecular Formula:
C16H18O7
Molecular Weight:
322.3099
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Product Description
Catalog Number:
AG00DA32
Chemical Name:
4-METHYLUMBELLIFERYL-BETA-D-FUCOPYRANOSIDE
CAS Number:
55487-93-9
Molecular Formula:
C16H18O7
Molecular Weight:
322.3099
MDL Number:
MFCD00069854
IUPAC Name:
4-methyl-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-one
InChI:
InChI=1S/C16H18O7/c1-7-5-12(17)23-11-6-9(3-4-10(7)11)22-16-15(20)14(19)13(18)8(2)21-16/h3-6,8,13-16,18-20H,1-2H3/t8-,13+,14+,15-,16+/m1/s1
InChI Key:
CQKHENXHLAUMBH-OSLYUKSHSA-N
SMILES:
OC1[C@@H](OC([C@@H]([C@H]1O)O)C)Oc1ccc2c(c1)oc(=O)cc2C C16H18O7
EC Number:
259-666-8
Properties
Complexity:
491  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
322.105g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
322.313g/mol
Monoisotopic Mass:
322.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties