9-(2-Hydroxypropyl)adenine, (R)-
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Basic information
- CAS
14047-28-0- Standard SMILES
C[C@@H](O)Cn1cnc2c(N)ncnc21- InChIKey
MJZYTEBKXLVLMY-RXMQYKEDSA-N- Molecular formula
- C8H11N5O
- Average molar mass
- 193.21 g/mol
- Monoisotopic mass
- 193.09635997
Names & identifiers
- Preferred name
- 9-(2-Hydroxypropyl)adenine, (R)-
- IUPAC
- (2R)-1-(6-aminopurin-9-yl)propan-2-ol
- English name
- (R)-(+)-9-(2-Hydroxypropyl)adenine
- Molecular formula
- C8H11N5O
- Molecular weight
- 193.21
Names & synonyms
14047-28-0(R)-9-(2-Hydroxypropyl)adenine(R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol9H-Purine-9-ethanol, 6-amino-alpha-methyl-, (alphaR)-9-(2-Hydroxypropyl)adenine, (R)-43H6SBP55WR-9-(2-hydroxypropyl)adenineR-9-(2-hydroxypropyl)adenine [WHO-DD]9H-Purine-9-ethanol, 6-amino-alpha-methyl-, D-9H-Purine-9-ethanol, 6-amino-alpha-methyl-, (R)-9H-PURINE-9-ETHANOL, 6-AMINO-.ALPHA.-METHYL-, D-9H-PURINE-9-ETHANOL, 6-AMINO-.ALPHA.-METHYL-, (.ALPHA.R)-
Show more names
Tenofovir Impurity 91(R)-9-(2-HydroxypropyLTenofovir alafenamide-30Tenofovir Impurity 1 CRSIntermediate of TenofovirMJZYTEBKXLVLMY-RXMQYKEDSA-NTenofovir Related Compound 11(R)-9-(2-Hydroxypropyl)ademineTenofovir (R)-Propanol Impurity9-[(2R)-2-Hydroxypropyl]adenine
(alphaR)-6-Amino-alpha-methyl-9H-purine-9-ethanol9H-PURINE-9-ETHANOL, 6-AMINO-.ALPHA.-METHYL-, (R)-RefChem:549068108-862-0604-188-0(R)-(+)-9-(2-HYDROXYPROPYL)ADENINE(2R)-1-(6-aminopurin-9-yl)propan-2-olMFCD07369451
Database identifiers
- CAS
14047-28-0- PubChem CID
- 445211
- DTXSID
DTXSID20332178- UNII
- 43H6SBP55W
- EC Number
- 108-862-0、604-188-0
- Nikkaji
- J3.287.859H
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 193 °C · 193 °C
- Boiling point
- 457.7 · 457.7±55.0 °C(Predicted)
- Density
- 1.57 · 1.57
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 14.42 · 14.42±0.20(Predicted)
- color
- White to Off-White
- InChI
- InChI=1/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/s3
- InChIKey
- MJZYTEBKXLVLMY-GQMHJJTINA-N
- SMILES
- N1(C[C@@H](C)O)C=NC2C(=NC=NC1=2)N |&1:2,r|
- FDA UNII
- 43 H6SBP55W · 43H6SBP55W
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute Tox. 4 (100%)
Safety data
- hs_code
- 2933.99.8290
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses(R)-9-[2-(Hydroxypropyl] Adenine (Desphosphoryl Tenofovir) (cas# 14047-28-0) is a useful reagent for preparing the antiviral drug tenofovir.
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
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