Cordycepin

C₁₀H₁₃N₅O₃CAS 73-03-0251.25 g/mol

Open in Covalent MOL file

Alcohol Ether Primary amine

Properties

Molecular formula: C₁₀H₁₃N₅O₃
Molar mass: 251.25 g/mol
Exact mass: 251.1018 Da
Melting point: 225.5 °C
logP: -0.95Crippen estimate
Polar surface area: 119.3 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 2
Stereocentres: R, S, Rin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed95.3% of notifiers
H315 Causes skin irritation95.3% of notifiers
H319 Causes serious eye irritation95.3% of notifiers
H335 May cause respiratory irritation90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

73-03-0

SMILES

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O

InChIKey

OFEZSBMBBKLLBJ-BAJZRUMYSA-N

InChI

InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1

Weigh it out

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

Names and synonyms

10 names

Adenosine, 3′-deoxy-
3′-Deoxyadenosine
9-Cordyceposidoadenine
9H-Purin-6-amine, 9-(3-deoxy-β-D-erythro-pentofuranosyl)-
β-D-Erythro-Pentofuranoside, adenine-9 3-deoxy-
Cordycepine
9-(3-Deoxy-β-D-ribofuranosyl)adenine
NSC 63984
NSC 401022
NQZ-001

Work with Cordycepin

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

Vidarabine5536-17-464 % similar Adenosine58-61-764 % similar Dideoxyadenosine4097-22-763 % similar 2'-Deoxyadenosine monohydrate16373-93-662 % similar 3'-Fluoro-3'-deoxyadenosine75059-22-262 % similar (2R,3R,4S,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol20227-41-259 % similar 2'-Fluoro-2'-deoxyadenosine64183-27-359 % similar 3'-Deoxyguanosine3608-58-059 % similar

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

Same formula

5′-Deoxyadenosine4754-39-6 Dideoxyguanosine85326-06-3 Deoxyadenosine958-09-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia