Name: Name:2H-1-Benzopyran-2-one, 3-acetyl-7-(β-D-glucopyranosyloxy)-
Brand: Angene
SKU: AG002K93
Rating: 90 (10 reviews)

2H-1-Benzopyran-2-one, 3-acetyl-7-(β-D-glucopyranosyloxy)-

CAS No.:

20943-16-2

Catalog Number:

AG002K93

Molecular Formula:

C17H18O9

Molecular Weight:

366.3194

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG002K93

Chemical Name:

2H-1-Benzopyran-2-one, 3-acetyl-7-(β-D-glucopyranosyloxy)-

CAS Number:

20943-16-2

Molecular Formula:

C17H18O9

Molecular Weight:

366.3194

MDL Number:

MFCD00037378

IUPAC Name:

3-acetyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

InChI:

InChI=1S/C17H18O9/c1-7(19)10-4-8-2-3-9(5-11(8)25-16(10)23)24-17-15(22)14(21)13(20)12(6-18)26-17/h2-5,12-15,17-18,20-22H,6H2,1H3/t12-,13-,14+,15-,17-/m1/s1

InChI Key:

KYVGMGQCZKBVDT-OWVAZHOYSA-N

SMILES:

OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)c(c3)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O

Properties

Complexity:

589

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

366.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

366.322g/mol

Monoisotopic Mass:

366.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

143A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.8

Literature

Title	Journal
In vitro evaluation of the sensitization potential of weak contact allergens using langerhans-like dendritic cells and autologous T cells.	Toxicology 20000407
Evaluation of the capacity of dendritic cells derived from cord blood CD34+ precursors to present haptens to unsensitized autologous T cells in vitro.	The Journal of investigative dermatology 19980401

Properties