Basic information
- CAS
2816-24-2- Standard SMILES
O=[N+]([O-])c1ccccc1OC1OC(CO)C(O)C(O)C1O- InChIKey
KUWPCJHYPSUOFW-UHFFFAOYSA-N- Molecular formula
- C12H15NO8
- Average molar mass
- 301.25 g/mol
- Monoisotopic mass
- 301.07976644
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
- IUPAC
- 2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
- English name
- 2-Nitrophenyl-beta-D-glucopyranoside
- Molecular formula
- C12H15NO8
- Molecular weight
- 301.25
Names & synonyms
2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol666699-73-62-Nitrophenyl hexopyranosideo-Nitrophenyl-beta-D-galactopyranosideo-Nitrophenyl .beta.-D-glucopyranosideo-NPGONPG;2-Nitrophenyl beta-D-galactoside-(1,5)o-Nitrophenyl- beta-D -galactoside2-Nitrophenyl ?-D-glucopyranoside2-(hydroxymethyl)-6-(2-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triolNSC-83631o-Nitrophenyl-alpha-D-glucopyranoside
Show more names
2-Nitrophenyl β-D-glucopyranosideNsc 1947ONP-BETA-D-GLCSodiumacidsaltEinecs 220-568-5INDOXYL-GLUCOSIDEONP BETA-D-GLUCOPYRANOSIDE2-NITROPHENYL-B-D-GLUCOSIDE2-Nitrophenyl β-D-glucosideo-Nitrophenyl beta-glucoside
o-Nitrophenyl .beta.-D-galactopyranosideo-Nitrophenyl-.beta.-D-galactopyranoside2-Nitrophenyl .beta.-D-galactopyranoside2-Nitrophenyl-.beta.-D-galactopyranoside.beta.-D-Glucopyranoside, 2-nitrophenylSCHEMBL234136o-Nitrophenyl .beta.-glucosideSCHEMBL29381636
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Experimental & physicochemical properties
LogP-0.78
Physicochemical properties
- Melting point
- 141 · 141-142℃
- Boiling point
- 572.4 · 572.4±50.0 °C(Predicted)
- Density
- 1.599 · 1.599±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- powder
- pka
- 12.69 · 12.69±0.70(Predicted)
- color
- light yellow
- Water Solubility
- Soluble in water
- BRN
- 92206 · 92206
- InChI
- InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/s3
- InChIKey
- KUWPCJHYPSUOFW-IDEGKBHYNA-N
- SMILES
- [C@@H]1([C@H](O)[C@H]([C@@H](O)[C@@H](CO)O1)O)OC1C=CC=CC=1[N+]([O-])=O |&1:0,1,3,4,6,r|
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29400090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Uses2-Nitrophenyl b-D-Glucopyranoside is used in preparation of phenol glycosides and their use in treatment of urolithiasis.
Suppliers100 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Related reactions
7 records
Compound notes
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