(3AS,4S,6R,6aR)-6-(6-amino-2-iodo-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid
Grundinformationen
- CAS
141018-26-0- Standard-SMILES
CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)O)O[C@H]2n1cnc2c(N)nc(I)nc21- InChIKey
BPWZMRNNBQGXEV-HEZDBXPZSA-N- Summenformel
- C13H14IN5O5
- Durchschnittliche Molmasse
- 447,19 g/mol
- Monoisotopische Masse
- 447,00397
Namen und Bezeichner
- Bevorzugter Name
- (3AS,4S,6R,6aR)-6-(6-amino-2-iodo-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid
- IUPAC
- (3aR,4R,6S,6aS)-4-(6-amino-2-iodopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
- Englischer Name
- 5'-Carboxy-2-iodo-2',3'-O-isopropylidene-D-adenosine
- Summenformel
- C13H14IN5O5
- Molmasse
- 447.19
Namen und Synonyme
(3AS,4S,6R,6aR)-6-(6-amino-2-iodo-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid1-(6-Amino-2-iodo-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-beta-D-ribofuranuronic acid2-Iodo Adenosine 5'-Carboxy-2',3'-acetonide5'-Carboxy-2-iodo-2',3'-O-isopropylidene-D-adenosineDTXSID701119736H839631-(6-AMino-2-iodo-9H-purin-9-yl)-1-deoxy-2,3-O-(1-Methylethylidene)-2-Iodo-9-[2,3-O-(1-methylethylidene)-beta-D-ribofuranuronosyl]-9H-purin-6-amine1-(6-Amino-2-iodo-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-I(2)-D-ribofuranuronic acidbeta-D-Ribofuranuronic acid, 1-(6-amino-2-iodo-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-5'-Carboxy-2-iodo-2',3'-O-isopropylideneadenosineβ-D-Ribofuranuronic acid, 1-(6-amino-2-iodo-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-
Weitere Namen anzeigen
(3aR,4S,6R,6aS)-6-(6-amino-2-iodo-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 135 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 539
Physikochemische Eigenschaften
- Siedepunkt
- 722.9 · 722.9±70.0 °C(Predicted)
- Dichte
- 2.41 · 2.41±0.1 g/cm3(Predicted)
- Löslichkeit
- soluble in DMSO
- Aggregatzustand
- Powder
- pka
- 2 · 2+-.0.60(Predicted)
- Farbe
- Off-White
Chemie und Industrie
Anwendungen
Verwenden5'-Carboxy-2-iodo-2',3'-O-isopropylidene-D-adenosine can be used for preparing 2-alkynyl-adenosine nucleosides as potential adenosine receptor agonists.
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