3'-Desoxyadenosin

9-(3-Deoxypentofuranosyl)-9H-purin-6-amine

HCID 248010CAS 73-03-0

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Grundinformationen

Standard-SMILES: Nc1ncnc2c1ncn2C1OC(CO)CC1O
InChIKey: OFEZSBMBBKLLBJ-UHFFFAOYSA-N
Summenformel: C10H13N5O3
Durchschnittliche Molmasse: 251,24 g/mol

Überblick

3deoxyadenosine has been reported in Cordyceps militaris, Ophiocordyceps sinensis, and Aspergillus nidulans with data available.

Namen und Bezeichner

Bevorzugter Name: 9-(3-Deoxypentofuranosyl)-9H-purin-6-amine
IUPAC: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
Lokaler Name: 3'-Desoxyadenosin
Englischer Name: Cordycepin
Summenformel: C10H13N5O3
Molmasse: 251.24

Namen und Synonyme

9-(3-deoxypentofuranosyl)-9h-purin-6-amineRefChem:1074903DTXCID90209707DTXSID008590903-Deoxyadenosine2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-olCHEMBL42814MLS0033894019-(.beta.-D-3'-Deoxyribofuranosyl)adenine.beta.-D-erythro-Pentofuranoside, adenine-9 3-deoxy-9H-Purine, 6-amino-9-(3-deoxy-.beta.-D-ribofuranosyl)-BRD2581

Weitere Namen anzeigen

Cipargamin3'-Deoxyadenosine3'-DEOXYADENOSINE3'-dAchongcaoduitangAdenine cordyceposideNSC 63984CORDYCEPINNSC 401022Cordycepine

2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol9H-Purin-6-amine, 9-(3-deoxy-.beta.-D-erythro-pentofuranosyl)-BRD-25819H-Purine, 6-amino-9-(3-deoxy-beta-D-ribofuranosyl)-Cordycepin [M+H]+3'-Deoxyadenosine (cordycepin)SCHEMBL20419171SCHEMBL29056333

Datenbank-Bezeichner

CAS: 73-03-0
PubChem CID: 248010
ChEMBL: CHEMBL42814

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
Polarare Oberfläche (TPSA): 119 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 307

Physikochemische Eigenschaften

Schmelzpunkt: 225 · 225-229 °C
Siedepunkt: 394.4 °C · 394.4°C (rough estimate)
Dichte: 1.2938 · 1.2938 (rough estimate)
Brechungsindex: 1.761 · 1.7610 (estimate)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Soluble in DMSO (up to 25 mg/ml).
Aggregatzustand: Powder
pka: 13 · 13+-.0.60(Predicted)
Farbe: White to Off-white
Biologische Quelle: Cordyceps militaris
Merck: 14 · 14,2529
BRN: 35194 · 35194
Stabilität: 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONING
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
InChIKey: OFEZSBMBBKLLBJ-BAJZRUMYSA-N
SMILES: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)C[C@H]3O
CAS Datenbank: 73 · 73-03-0(CAS DataBase Reference)
EPA chemische Informationen: 3 · Adenosine, 3'-deoxy- (73-03-0)

Sicherheit und Regulatorisches

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN 2811
hs_code: 29349990
RTECS-Nr.: AU7358610
risk_code: 40-36/37/38-25-20/21/22
hazard_code: Xn,T
safety_code: 22-36-45-26
hazard_class: 6.1
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral