5'-Amino-5'-deoxy-2',3'-O-(1-methylethylidene)-adenosine
Grundinformationen
- CAS
21950-36-7- Standard-SMILES
CC1(C)O[C@@H]2[C@H](O1)[C@@H](CN)O[C@H]2n1cnc2c(N)ncnc21- InChIKey
RGJLVQRLOVOJRF-WOUKDFQISA-N- Summenformel
- C13H18N6O3
- Durchschnittliche Molmasse
- 306,32 g/mol
- Monoisotopische Masse
- 306,14403846
Namen und Bezeichner
- Bevorzugter Name
- 5'-Amino-5'-deoxy-2',3'-O-(1-methylethylidene)-adenosine
- IUPAC
- 9-[(3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
- Englischer Name
- Adenosine, 5'-aMino-5'-deoxy-2',3'-O-(1-Methylethylidene)-
- Summenformel
- C13H18N6O3
- Molmasse
- 306.32
Namen und Synonyme
21950-36-75'-Amino-5'-deoxy-2',3'-O-(1-methylethylidene)-adenosineMFCD15833219Adenosine, 5'-amino-5'-deoxy-2',3'-O-(1-methylethylidene)-9-[(3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-9H-purin-6-amine9-((3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-amine9-[(3aR,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine5''-Amino-5''-deoxy-2'',3''-O-(1-methylethylidene)adenosine5'-Amino-5'-deoxy-2',3'-O-isopropylidineadenosine5'-Amino-5'-deoxy-2',3'-O-(1-methylethylidene)adenosineC13H18N6O3SCHEMBL460251
Weitere Namen anzeigen
(EP-5)5'-Amino-5'-O-(1-methylethylidene)-adenosineAdenosine,5`-deoxy-2`3`-O-(1-Methylethylidene)-5'-amino-5'-deoxy-2',3'-O-isopropylideneadenosine9-((3aR,4S,6R,6aR)-6-(aMinoMethyl)-2,2-diMethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-aMine
SCHEMBL29975024DTXSID20461750RGJLVQRLOVOJRF-WOUKDFQISA-NCS-D1218AKOS016005359DS-4004FA143512SY241963
Datenbank-Bezeichner
- CAS
21950-36-7- PubChem CID
- 11301215
- DTXSID
DTXSID20461750- Nikkaji
- J652.648I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,2
- Polarare Oberfläche (TPSA)
- 123 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 438
Physikochemische Eigenschaften
- Schmelzpunkt
- 202 · 202-203℃
- Siedepunkt
- 553.1 · 553.1±60.0 °C(Predicted)
- Dichte
- 1.8 · 1.80±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 9.08 · 9.08±0.29(Predicted)
Sicherheit und Regulatorisches
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
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