Structure

4-Nitrophenyl-n-acetyl-beta-D-galactosaminide

CAS
14948-96-0
Catalog Number
ACM14948960
Category
Other Products
Molecular Weight
342.3
Molecular Formula
C14H18N2O8

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Specification

Synonyms
GalNAc-beta-PNP
IUPAC Name
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O
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-RKQHYHRCSA-N
Boiling Point
694.7±55.0 °C
Melting Point
181 °C
Density
1.51±0.1 g/ml
Appearance
White to off-white solid
pKa
12.76±0.70

Upstream Synthesis Route 1

  • 50271-51-7
  • 14948-96-0

Reference: [1]Chen, Hong-Ming; Withers, Stephen G.
[Carbohydrate Research, 2007, vol. 342, # 15, p. 2212 - 2222]
[2]Heyworth et al.
[Journal of the Chemical Society, 1959, p. 4121]
Watkins
[Biochemical Journal, 1959, vol. 71, p. 261,262]

Downstream Synthesis Route 1

  • 3946-01-8
  • 14948-96-0
  • 136198-40-8

Reference: [1]Crout, David H.; Singh, Suddham; Swoboda, Ben E. P. G.; Critchley, Peter; Gibson, Walter T.
[Journal of the Chemical Society. Chemical communications, 1992, # 9, p. 704 - 705]

Downstream Synthesis Route 2

  • 6082-04-8
  • 14948-96-0
  • 142003-07-4
  • 141989-69-7

Reference: [1]Crout, David H.; Singh, Suddham; Swoboda, Ben E. P. G.; Critchley, Peter; Gibson, Walter T.
[Journal of the Chemical Society. Chemical communications, 1992, # 9, p. 704 - 705]
[2]Crout, D H G; MacManus, D A; Ricca, J-M; Singh, S; Critchley, P; Gibson, W T
[Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 1, p. 195 - 201]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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