chempirical

2'-Deoxyadenosine monohydrate

C10H15N5O4CAS 16373-93-6269.26 g/mol

Open in Covalent MOL file
ONNNNNH2OHHOH2O
AlcoholEtherPrimary amine

Properties

Molecular formula
C10H15N5O4
Molar mass
269.26 g/mol
Exact mass
269.1124 Da
logP
-1.78Crippen estimate
Polar surface area
150.8 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
2
Stereocentres
S, R, Rin SMILES atom order

Identifiers

CAS number
16373-93-6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O.O
InChIKey
WZJWHIMNXWKNTO-VWZUFWLJSA-N
InChI
InChI=1S/C10H13N5O3.H2O/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7;/h3-7,16-17H,1-2H2,(H2,11,12,13);1H2/t5-,6+,7+;/m0./s1

Weigh it out

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

Work with 2'-Deoxyadenosine monohydrate

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

Similar compounds

Deoxyadenosine958-09-893 % similar Deoxyinosine890-38-071 % similar Cladribine4291-63-867 % similar 2′-Deoxy-N6-methyladenosine2002-35-965 % similar Deoxyadenosine monophosphate653-63-464 % similar Cordycepin73-03-062 % similar Deoxyadenosine 5′-monophosphate disodium salt2922-74-960 % similar Vidarabine5536-17-459 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook