CAS 10139-02-3 | α-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy- | CAS Number 10139-02-3

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10139-02-3 | α-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-

CAS No: 10139-02-3 Catalog No: AG0004DR MDL No:MFCD00006592

Product Description

Catalog Number:

AG0004DR

Chemical Name:

α-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-

CAS Number:

10139-02-3

Molecular Formula:

C14H18N2O8

Molecular Weight:

342.3013

MDL Number:

MFCD00006592

IUPAC Name:

N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide

InChI:

InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14+/m1/s1

InChI Key:

OMRLTNCLYHKQCK-KSTCHIGDSA-N

SMILES:

OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)NC(=O)C

EC Number:

233-392-9

Properties

Complexity:

449

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

342.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

342.304g/mol

Monoisotopic Mass:

342.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

154A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4

Literature

Title	Journal
Facile synthesis of nitrophenyl 2-acetamido-2-deoxy-α-D-mannopyranosides from ManNAc-oxazoline.	Beilstein journal of organic chemistry 20120101
A concise synthesis of 4-nitrophenyl 2-azido-2-deoxy- and 2-acetamido-2-deoxy-D-mannopyranosides.	Carbohydrate research 20050117