(Q27162435)

4-Nitrophenyl-beta-D-glucopyranoside (English)

19 October 2016

chemical formula

C₁₂H₁₅NO₈

1 reference

4-Nitrophenyl-beta-D-glucopyranoside (English)

19 October 2016

canonical SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O

1 reference

4-Nitrophenyl-beta-D-glucopyranoside (English)

19 October 2016

isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

1 reference

4-Nitrophenyl-beta-D-glucopyranoside (English)

InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

4-Nitrophenyl-beta-D-glucopyranoside (English)

19 October 2016

2 references

4-Nitrophenyl-beta-D-glucopyranoside (English)

19 October 2016

stated in

ChEBI release 2020-09-01

2 references

4-nitrophenyl beta-D-glucoside (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=2492-87-7

8 April 2021

1 reference

4-Nitrophenyl beta-D-glucopyranoside (English)

19 October 2016

2 references

4-Nitrophenyl-beta-D-glucopyranoside (English)

19 October 2016

Reaxys registry number

92211

1 reference

4-nitrophenyl beta-D-glucoside (English)

19 October 2016

ChEBI ID

90259

mapping relation type

2 references

4-nitrophenyl beta-D-glucoside (English)

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1

1 reference

CHEMBL152723 (English)

19 October 2016

2 references

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID801023338

0 references

EC number

219-661-3

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.017.875

27 December 2018

ECHA Substance Infocard ID

4-nitrophenyl β-D-glucopyranoside (English)

quotation

CAS no.: 2492-87-7 (English)

100.017.875

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.017.875

27 December 2018

4-nitrophenyl β-D-glucopyranoside (English)

quotation

CAS no.: 2492-87-7 (English)

0 references

0 references

1 reference

3AI0 (English)

19 October 2016

1 reference

4M81 (English)