Basic information
- CAS
14047-27-9- Standard SMILES
C[C@H](O)Cn1cnc2c(N)ncnc21- InChIKey
MJZYTEBKXLVLMY-YFKPBYRVSA-N- Molecular formula
- C8H11N5O
- Average molar mass
- 193.21 g/mol
- Monoisotopic mass
- 193.09635999
Names & identifiers
- Preferred name
- S-9-(2-hydroxypropyl)adenine
- IUPAC
- (2S)-1-(6-aminopurin-9-yl)propan-2-ol
- English name
- 9H-Purine-9-ethanol, 6-aMino-a-Methyl-, (S)-
- Molecular formula
- C8H11N5O
- Molecular weight
- 193.21
Names & synonyms
S-9-(2-hydroxypropyl)adenine(2S)-1-(6-amino-9H-purin-9-yl)propan-2-olRefChem:88418714047-27-9(S)-1-(6-Amino-9H-purin-9-yl)propan-2-olTenofovir Impurity 1039-hydroxypropyladenine, s-isomer(2S)-1-(6-aminopurin-9-yl)propan-2-olMFCD206983929H-Purine-9-ethanol, 6-amino-alpha-methyl-, (alphaS)-9H-Purine-9-ethanol, 6-amino-a-methyl-, (aS)-(alphaS)-6-Amino-alpha-methyl-9H-purine-9-ethanol
Show more names
Tenofovir Related Compound 9L-(+)-9-(2-Hydroxypropyl)adenine1-(6-AMINO-9H-PURIN-9-YL)PROPAN-2-OL(αS)-6-amino-α-methyl-9H-Purine-9-ethanol9H-Purine-9-ethanol, 6-amino-α-methyl-, (αS)-(S)-1-(6-amino-9H-purin-9-yl)propan-2-ol? (Tenofovir Impurity）
(S)-9-[2-(Hydroxypropyl] AdenineS-isomer9-hydroxypropyladenine(S)-(-)-9-(2-Hydroxypropyl)adenine9H-Purine-9-ethanol, 6-aMino-a-Methyl-, (S)-SCHEMBL5810639Tenofovir (S)-Propanol ImpurityDTXSID60332177Tenofovir Disoproxil Impurity 35
Database identifiers
- CAS
14047-27-9- PubChem CID
- 445210
- DTXSID
DTXSID60332177- Nikkaji
- J2.884.818H
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
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 183 · 183-186°C
- Boiling point
- 457.7 · 457.7±55.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 14.42 · 14.42±0.20(Predicted)
- form
- Solid
- color
- White Off-White
Chemistry & industry
Applications
Uses(S)-9-[2-(Hydroxypropyl] Adenine is an inhibitor of adenosine deaminase. (S)-9-[2-(Hydroxypropyl] Adenine is used in the preparation of antiviral acyclic nucleoside thiophosphonates such as (S)-Tenofovir Disoproxil Fumarate (T018506).
Suppliers72 total
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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