(R)-9-(2-Hydroxypropyl)adenine - CAS 14047-28-0

Name: (R)-9-(2-Hydroxypropyl)adenine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009079
Product Name:	(R)-9-(2-Hydroxypropyl)adenine
CAS:	14047-28-0
Synonyms:	(R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol; Hydroxypropyladenine; (R)-(+)-9-(2-Hydroxypropyl)adenine; D-(-)-9-(2-Hydroxypropyl)adenine; (αR)-6-Amino-α-methyl-9H-purine-9-ethanol; Desphosphoryl Tenofovir; (2R)-1-(6-aminopurin-9-yl)-2-propanol

Technical Data

IUPAC Name:	(2R)-1-(6-aminopurin-9-yl)propan-2-ol
Description:	(R)-9-(2-Hydroxypropyl)adenine is an impurity of Tenofovir Disoproxil Fumarate, which is a potent reverse transcriptase inhibitor used to treat chronic hepatitis B and to prevent and treat HIV/AIDS.
Molecular Weight:	193.21
Molecular Formula:	C8H11N5O
Canonical SMILES:	CC(CN1C=NC2=C1N=CN=C2N)O
InChI:	InChI=1S/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-/m1/s1
InChI Key:	MJZYTEBKXLVLMY-RXMQYKEDSA-N
Boiling Point:	457.7±55.0°C (Predicted)
Melting Point:	189-192 °C
Purity:	≥95%
Density:	1.57±0.1 g/cm3 (Predicted)
Solubility:	Soluble in DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly, Heated)
Appearance:	White to off-white solid
Storage:	Store at -20°C
MDL:	MFCD07369451
LogP:	0.37050

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112553174-A	Application of dehydrogenase in preparation of (R) -9- (2-hydroxypropyl) adenine	20210301
CN-112553174-B	Application of dehydrogenase in preparation of (R) -9- (2-hydroxypropyl) adenine	20210301
CN-112626144-A	Biosynthesis method of tenofovir intermediate (R) -9- (2-hydroxypropyl) adenine	20201223
CN-111620908-A	Diastereoisomer of tenofovir alafenamide, preparation method and application thereof	20200520
CN-111239286-A	Method for detecting genotoxic impurities in tenofovir	20200224

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	193.09635999
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	193.09635999
Rotatable Bond Count:	2
Topological Polar Surface Area:	89.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4