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Home> Hot Product Listed U   > URE2 protein
70560-51-9 structure

URE2 protein

Iupac Name:(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid
CAS No.:70560-51-9
Molecular Weight:582.575
Molecular Formula:C11H19NO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16?,17-,18-;/m1./s1
InChkey
OOYGSFOGFJDDHP-HGBJQEFVSA-N
Canonical Smiles
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N.OS(=O)(=O)O
Properties
Melting Point
250 oC
Vapour
0mmHg at 25°C
Refractive Index
117.5 ° (C=1, H2O)
Safety and Handling
Risk Statements
R61
Safety Statements
22-24/25-45
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 70560-51-9 EC: URE2 protein ·ECHA C&L Inventory for CAS: CAS: 70560-51-9 EC: URE2 protein
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:582.575g/mol
  • Molecular Formula:C11H19NO2
  • Compound Is Canonicalized:True
  • Exact Mass:582.205
  • Monoisotopic Mass:582.205
  • Complexity:720
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:13
  • Hydrogen Bond Acceptor Count:19
  • Topological Polar Surface Area:366A^2
  • Heavy Atom Count:38
  • Defined Atom Stereocenter Count:14
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcfB7vABAAAAAAAAAAAAAAAAAAAAAAAA0SIAAAAAAAAAAAAAAHgAQCAAACDzxgAcACABABoAA AAAAADAAAAAAAAAAAIAAAAATEAIAwAAjQAAHEAAHAAHwcA0AAAAAAAAAAAAAgAAUCACgAAAAAAAA AA==
 
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