4-Methylumbelliferyl Α-L-Fucopyranoside

CAS: 54322-38-2 | C16H18O7

Loading 3D structure...

CAS Registry Number: 54322-38-2

Molecular Formula: C16H18O7

Molecular Mass: 322.31 g/mol

4-Methylumbelliferyl Α-L-Fucopyranoside

2H-1-Benzopyran-2-one, 7-[(6-deoxy-α-L-galactopyranosyl)oxy]-4-methyl-

7-[(6-Deoxy-α-L-galactopyranosyl)oxy]-4-methyl-2H-1-benzopyran-2-one

4-Methylumbelliferyl α-L-fucopyranoside

4-Methylumbelliferone α-L-fucopyranoside

4-Methylumbelliferyl α-L-fucoside

Cc1cc(=O)oc2cc(O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)ccc12

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-/m0/s1

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	322.31 g/mol	CAS Common Chemistry
	322.31300000000005 g/mol	RDKit
	322.105252916 g/mol	RDKit
Canonical SMILES	O=C1OC=2C=C(OC3OC(C)C(O)C(O)C3O)C=CC2C(=C1)C	CAS Common Chemistry
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-/m0/s1	CAS Common Chemistry
InChI Key	InChIKey=CQKHENXHLAUMBH-CRLRYRHBSA-N	CAS Common Chemistry
Name	4-Methylumbelliferyl α-L-fucopyranoside	CAS Common Chemistry
Heavy Atom Count	23	RDKit
Hydrogen Bond Acceptors	7	RDKit
Hydrogen Bond Donors	3	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	109.36000000000001 Å²	RDKit
LogP	0.3077199999999996	RDKit
Molar Refractivity	80.20440000000004	RDKit