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Home> Hot Product Listed T   > Tenofovir Diphosphate
64013-70-3 structure

Tenofovir Diphosphate

Iupac Name:(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,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.:64013-70-3
Molecular Weight:680.647
Molecular Formula:C14H18FNO6 (isomer)
Names and Identifiers
Synonyms

[(1R)-2(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]-isohypophosphoric Acid Tenofovir Phosphate Tenofovir Phosphate, >60% Tenofovir Phosphate, >60% (Mixture of diastereoMers) Tenofovir Phosphate, >60% (Mixture of diastereoMers) Discontinued See: T018560

Inchi
InChI=1S/C18H36N4O11.2H2O4S/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;2*1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;2*(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;;/m1../s1
InChkey
OGTKIXVMLDAMNU-KNQICTBBSA-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.OS(=O)(=O)O
Properties
Density
1.79
HS Code
29419000
Storage temp
Hygroscopic, -20?C Freezer, Under Inert Atmosphere
Safety and Handling
Risk Statements
61
Safety Statements
Hazard Codes TRisk Statements 61Safety Statements 53-45WGK Germany 3
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 64013-70-3 EC: Tenofovir Diphosphate ·ECHA C&L Inventory for CAS: CAS: 64013-70-3 EC: Tenofovir Diphosphate
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:680.647g/mol
  • Molecular Formula:C14H18FNO6
  • Compound Is Canonicalized:True
  • Exact Mass:680.173
  • Monoisotopic Mass:680.173
  • Complexity:720
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:15
  • Hydrogen Bond Acceptor Count:23
  • Topological Polar Surface Area:449A^2
  • Heavy Atom Count:43
  • Defined Atom Stereocenter Count:15
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADcfB7vgBgAAAAAAAAAAAAAAAAAAAAAAA0SIAAAAAAAAAAAAAAHgAQCAAACDzxgAcACABABoAA AAAAADAAAAAAAAAAAIAAAAATEAIAwAAjQAAHEAAHAAHwcA0AAAAAAAAAAAAAgAAUCACgAAAAAAAA AA==
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