D-(-)-9-(2-Hydroxypropyl)adenine

C₈H₁₁N₅OCAS 14047-28-0193.21 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₈H₁₁N₅O
Molar mass: 193.21 g/mol
Exact mass: 193.0964 Da
Melting point: 193 °C
logP: -0.21Crippen estimate
Polar surface area: 89.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

14047-28-0

SMILES

C[C@@H](O)Cn1cnc2c(N)ncnc21

InChIKey

MJZYTEBKXLVLMY-RXMQYKEDSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

9-(2-Hydroxypropyl)adenine, (R)-
(αR)-6-Amino-α-methyl-9H-purine-9-ethanol
9H-Purine-9-ethanol, 6-amino-α-methyl-, (αR)-
9H-Purine-9-ethanol, 6-amino-α-methyl-, D-
9H-Purine-9-ethanol, 6-amino-α-methyl-, (R)-
9-[(2R)-2-Hydroxypropyl]adenine
(R)-9-(2-Hydroxypropyl)adenine
9-[2-(R)-(Hydroxy)propyl]adenine
(R)-(+)-9-(2-Hydroxypropyl)adenine
(2R)-1-(6-Aminopurin-9-yl)propan-2-ol

Work with D-(-)-9-(2-Hydroxypropyl)adenine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

S-9-(2-Hydroxypropyl)adenine14047-27-9Enantiomer

Similar compounds

9-(2-Hydroxyethyl)adenine707-99-359 % similar (S)-Tenofovir147127-19-357 % similar Tenofovir147127-20-657 % similar Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, hydrate (1:1)206184-49-854 % similar 9-Methyladenine700-00-550 % similar 5′-Deoxyadenosine4754-39-649 % similar Phenyl hydrogen [(R)-1-(6-amino-9H-purin-9-yl)propan-2-yloxy]methylphosphonate379270-35-648 % similar Adefovir106941-25-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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