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5'-Guanylic acid, 2'-amino-2'-deoxy- structure
5'-Guanylic acid, 2'-amino-2'-deoxy- structure

5'-Guanylic acid, 2'-amino-2'-deoxy-

Iupac Name:4-(4-hydroxyphenyl)sulfonylphenol
CAS No.:80-09-1
Molecular Weight:250.2704
1. Names and Identifiers
1.1 Name
5'-Guanylic acid, 2'-amino-2'-deoxy-
1.2 Synonyms

((2R,3S,4R,5R)-4-Amino-5-(2-amino-6-oxo-3H-purin-9(6H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate [(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate 2'-Amino-2'-deoxyguanosine 5'-(dihydrogen phosphate) 72189-87-8 CTK2H2779 DTXSID10825327

1.3 CAS No.
80-09-1
1.4 CID
6626
1.5 Molecular Formula
C22H18N2O5S (isomer)
1.6 Inchi
InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H
1.7 InChkey
VPWNQTHUCYMVMZ-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O
1.9 Isomers Smiles
C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O
2. Properties
3.1 Melting Point
245-250℃
3.2 Vapour
4.7X10-10 mm Hg at 25 °C (est)
3.3 Refractive Index
1.645
3. Safety and Handling
4.1 Risk Statements
R36
4.2 Safety Statements
S26;S39
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:250.2704g/mol
  • Molecular Formula:C22H18N2O5S
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:250.02997997
  • Monoisotopic Mass:250.02997997
  • Complexity:302
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:83
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
  • Uses of Bisphenol S Mar 03 2021
    Chemical properties Bisphenol S is white needle crystals with the melting point of T 240-241 ° C. Easily soluble in aliphatic hydrocarbons, soluble in alcohols and ethers, slightly soluble in aromatic hydrocarbons, insoluble in water. Bisphenol S consists of two hydroxyphenyl groups connected b...
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