4-Methylumbelliferyl Α-L-Arabinopyranoside

CAS: 69414-26-2 | C15H16O7

Loading 3D structure...

CAS Registry Number: 69414-26-2

Molecular Formula: C15H16O7

Molecular Mass: 308.29 g/mol

4-Methylumbelliferyl Α-L-Arabinopyranoside

2H-1-Benzopyran-2-one, 7-(α-L-arabinopyranosyloxy)-4-methyl-

7-(α-L-Arabinopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one

4-Methylumbelliferyl α-L-arabinopyranoside

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

InChI=1S/C15H16O7/c1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13-,14+,15-/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	308.29 g/mol	CAS Common Chemistry
	308.286 g/mol	RDKit
	308.089602852 g/mol	RDKit
Canonical SMILES	O=C1OC=2C=C(OC3OCC(O)C(O)C3O)C=CC2C(=C1)C	CAS Common Chemistry
InChI	InChI=1S/C15H16O7/c1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13-,14+,15-/m0/s1	CAS Common Chemistry
InChI Key	InChIKey=JWIYLOHVJDJZOQ-HPEDKQMDSA-N	CAS Common Chemistry
Name	4-Methylumbelliferyl α-L-arabinopyranoside	CAS Common Chemistry
Heavy Atom Count	22	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	-0.08078000000000046	RDKit
Molar Refractivity	75.60940000000002	RDKit