Name: Name:4-METHYLUMBELLIFERYL BETA-D-N,N'-DIACETYL-CHITOBIOSIDE
Brand: Angene
SKU: AG00DA2V
Rating: 90 (10 reviews)

4-METHYLUMBELLIFERYL BETA-D-N,N'-DIACETYL-CHITOBIOSIDE

CAS No.:

53643-12-2

Catalog Number:

AG00DA2V

Molecular Formula:

C26H34N2O13

Molecular Weight:

582.5538

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Purity

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Product Description

Catalog Number:

AG00DA2V

Chemical Name:

4-METHYLUMBELLIFERYL BETA-D-N,N'-DIACETYL-CHITOBIOSIDE

CAS Number:

53643-12-2

Molecular Formula:

C26H34N2O13

Molecular Weight:

582.5538

MDL Number:

MFCD00082499

IUPAC Name:

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

InChI:

InChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4-7,16-17,19-26,29-30,34-36H,8-9H2,1-3H3,(H,27,31)(H,28,32)/t16-,17-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1

InChI Key:

UPSFMJHZUCSEHU-JYGUBCOQSA-N

SMILES:

OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)O)NC(=O)C

Properties

Complexity:

994

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

582.206g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

582.559g/mol

Monoisotopic Mass:

582.206g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

223A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.9

Literature

Title	Journal
Measuring inhibition of monoamine reuptake transporters by new psychoactive substances (NPS) in real-time using a high-throughput, fluorescence-based assay.	Toxicology in vitro : an international journal published in association with BIBRA 20171201
Alteration of human hepatic drug transporter activity and expression by cigarette smoke condensate.	Toxicology 20160701
Selective regulation of multidrug resistance protein in vascular smooth muscle cells by the isoquinoline alkaloid coptisine.	Biological & pharmaceutical bulletin 20100101
Expression of chitinase-encoding genes in Bacillus thuringiensis and toxicity of engineered B. thuringiensis subsp. aizawai toward Lymantria dispar larvae.	Current microbiology 20040301
Enhanced enzymatic hydrolysis of langostino shell chitin with mixtures of enzymes from bacterial and fungal sources.	Carbohydrate research 20030901

Properties