S-9-(2-Hydroxypropyl)adenine

C₈H₁₁N₅OCAS 14047-27-9193.21 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
logP: -0.21Crippen estimate
Polar surface area: 89.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

14047-27-9

SMILES

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

InChIKey

MJZYTEBKXLVLMY-YFKPBYRVSA-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-/m0/s1

Weigh it out

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

Names and synonyms

7 names

(αS)-6-Amino-α-methyl-9H-purine-9-ethanol
9H-Purine-9-ethanol, 6-amino-α-methyl-, (αS)-
9H-Purine-9-ethanol, 6-amino-α-methyl-, L-
9H-Purine-9-ethanol, 6-amino-α-methyl-, (S)-
L-(+)-9-(2-Hydroxypropyl)adenine
9-[(2S)-2-Hydroxypropyl]adenine
(S)-9-(2-Hydroxypropyl)adenine

Work with S-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.

D-(-)-9-(2-Hydroxypropyl)adenine14047-28-0Enantiomer

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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