9-(2-Hydroxypropyl)adenine, (R)-

HCID 445211CAS 14047-28-0
Substructure searchFind similar structures

Basic information

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 properties

XLogP
-0.4
Topological polar surface area
89.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
14

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

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 2 items

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

Suppliers50 total

T&W GROUP021-61551611 13296011611 · [email protected]
河北立业化学制品有限公司0310-6697998 13930001710 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]

Related reactions

5 records
New reaction record

Linked notes

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