Name: Name:β-D-Galactopyranoside, 2-nitrophenyl, 2,3,4,6-tetraacetate
Brand: Angene
SKU: AG0030FZ
Rating: 90 (10 reviews)

β-D-Galactopyranoside, 2-nitrophenyl, 2,3,4,6-tetraacetate

CAS No.:

3053-17-6

Catalog Number:

AG0030FZ

Molecular Formula:

C20H23NO12

Molecular Weight:

469.3961

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Product Description

Catalog Number:

AG0030FZ

Chemical Name:

β-D-Galactopyranoside, 2-nitrophenyl, 2,3,4,6-tetraacetate

CAS Number:

3053-17-6

Molecular Formula:

C20H23NO12

Molecular Weight:

469.3961

MDL Number:

MFCD03701218

IUPAC Name:

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-nitrophenoxy)oxan-2-yl]methyl acetate

InChI:

InChI=1S/C20H23NO12/c1-10(22)28-9-16-17(29-11(2)23)18(30-12(3)24)19(31-13(4)25)20(33-16)32-15-8-6-5-7-14(15)21(26)27/h5-8,16-20H,9H2,1-4H3/t16-,17+,18+,19-,20-/m1/s1

InChI Key:

ILJYBOOYGRDODX-LCWAXJCOSA-N

SMILES:

CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C

Properties

Complexity:

750

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

469.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

469.399g/mol

Monoisotopic Mass:

469.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

170A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Crystal structure and solid state 13C NMR analysis of nitrophenyl 2,3,4,6-tetra-O-acetyl-beta-D-gluco- and D-galactopyranosides.	Carbohydrate research 20050502